(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol

C12H15F3O — CID 129452595

IUPAC(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
SMILESOCC[C@H](CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H15F3O/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t11-/m0/s1
InChIKeyZVGLWRSICLNPIU-NSHDSACASA-N
MW232.24 g/mol
LogP3.18
Rot. Bonds5

About (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol

(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol (PubChem CID 129452595) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
PubChem CID129452595
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
SMILESOCC[C@H](CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H15F3O/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t11-/m0/s1
InChIKeyZVGLWRSICLNPIU-NSHDSACASA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

S-tert-butylthiohydroxylamine;5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 145285457
3-iodo-5-phenylpentan-1-ol
CID 72737270
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 62881119
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
CID 10591998
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene
CID 139124399
1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
CID 175153498
benzoic acid;4,4,4-trifluoro-3-(phenylsulfanylmethyl)butan-1-ol
CID 71334944
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992

Frequently Asked Questions

What is the IUPAC name of (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol?
The IUPAC name of (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol (CID 129452595) is (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol is OCC[C@H](CCc1ccccc1)C(F)(F)F.
What is the InChIKey of (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol?
The InChIKey is ZVGLWRSICLNPIU-NSHDSACASA-N. The full InChI is InChI=1S/C12H15F3O/c13-12(14,15)11(8-9-16)7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t11-/m0/s1.
What are the key properties of (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol?
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol has a molecular weight of 232.24 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 129452595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).