1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.

Phenylalkylamines

Organic compounds

Organonitrogen compounds

Amines

Aralkylamines

Calculated Property

kind Value Source
logP 3.96 ALOGPS
logS -3.9 ALOGPS
Water Solubility 4.49e-02 g/l ALOGPS
logP 3.53 ChemAxon
IUPAC Name 1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol ChemAxon
Traditional IUPAC Name 1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol ChemAxon
Molecular Weight 341.1729 ChemAxon
Monoisotopic Weight 341.046217728 ChemAxon
SMILES OC(C1=CC=C(NCC(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F ChemAxon
Molecular Formula C11H8F9NO ChemAxon
InChI InChI=1S/C11H8F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h1-4,21-22H,5H2 ChemAxon
InChIKey InChIKey=VHDRSZOHKKZOQF-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 32.26 ChemAxon
Refractivity 58.98 ChemAxon
Polarizability 22.41 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 7.51 ChemAxon
pKa (strongest basic) 1.23 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Oxysterols receptor LXR-beta : in Human