(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol

C14H17F4NO — CID 79009309

IUPAC(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F4NO/c1-9(20)13-11(15)5-2-6-12(13)19-7-3-4-10(8-19)14(16,17)18/h2,5-6,9-10,20H,3-4,7-8H2,1H3/t9-,10?/m0/s1
InChIKeyCUFCVHMZQIHWHT-RGURZIINSA-N
MW291.29 g/mol
LogP3.66
Rot. Bonds2

About (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol

(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol (PubChem CID 79009309) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
PubChem CID79009309
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F4NO/c1-9(20)13-11(15)5-2-6-12(13)19-7-3-4-10(8-19)14(16,17)18/h2,5-6,9-10,20H,3-4,7-8H2,1H3/t9-,10?/m0/s1
InChIKeyCUFCVHMZQIHWHT-RGURZIINSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
(1S)-1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-fluorophenyl]ethanol
CID 78939853
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 78946556
(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 78941188
(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 103960219
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597980

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol (CID 79009309) is (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol is C[C@H](O)c1c(F)cccc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
The InChIKey is CUFCVHMZQIHWHT-RGURZIINSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-9(20)13-11(15)5-2-6-12(13)19-7-3-4-10(8-19)14(16,17)18/h2,5-6,9-10,20H,3-4,7-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol has a molecular weight of 291.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 79009309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).