[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol

C14H11F4NO2 — CID 107292052

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H11F4NO2/c1-21-12-7-19-5-4-9(12)13(20)8-2-3-10(11(15)6-8)14(16,17)18/h2-7,13,20H,1H3
InChIKeyLGBILIXCKZAJPJ-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.33
Rot. Bonds3

About [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol

[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol (PubChem CID 107292052) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol
PubChem CID107292052
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H11F4NO2/c1-21-12-7-19-5-4-9(12)13(20)8-2-3-10(11(15)6-8)14(16,17)18/h2-7,13,20H,1H3
InChIKeyLGBILIXCKZAJPJ-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292098
(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066253
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
(5-fluoro-3-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066191
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
(3-methoxy-4-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105066395
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287245
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
1-(3-fluoro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 107130336

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol (CID 107292052) is [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol is COc1cnccc1C(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol?
The InChIKey is LGBILIXCKZAJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2/c1-21-12-7-19-5-4-9(12)13(20)8-2-3-10(11(15)6-8)14(16,17)18/h2-7,13,20H,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol?
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol has a molecular weight of 301.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 107292052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).