(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol

C14H11F4NO — CID 126447982

IUPAC(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11F4NO/c1-8(20)12-3-2-4-13(19-12)9-5-6-11(15)10(7-9)14(16,17)18/h2-8,20H,1H3/t8-/m0/s1
InChIKeyHTTAQRYJITXACT-QMMMGPOBSA-N
MW285.24 g/mol
LogP3.96
Rot. Bonds2

About (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol

(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol (PubChem CID 126447982) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol
PubChem CID126447982
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11F4NO/c1-8(20)12-3-2-4-13(19-12)9-5-6-11(15)10(7-9)14(16,17)18/h2-8,20H,1H3/t8-/m0/s1
InChIKeyHTTAQRYJITXACT-QMMMGPOBSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 107290566
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 107290420
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
CID 156781535
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107289625
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107290545
2,2,2-trifluoro-1-[6-(4-fluoro-2,1,3-benzoxadiazol-6-yl)-2-pyridinyl]ethanol
CID 129243577
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
(1R)-1-[6-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]ethanol
CID 126446543

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol (CID 126447982) is (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol is C[C@H](O)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol?
The InChIKey is HTTAQRYJITXACT-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11F4NO/c1-8(20)12-3-2-4-13(19-12)9-5-6-11(15)10(7-9)14(16,17)18/h2-8,20H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol?
(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol has a molecular weight of 285.24 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 126447982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).