3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol

C17H11F4NO2 — CID 174242071

IUPAC3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol
SMILESOCc1c(-c2ccc(C(F)(F)F)cc2F)cnc2cc(O)ccc12
InChIInChI=1S/C17H11F4NO2/c18-15-5-9(17(19,20)21)1-3-11(15)13-7-22-16-6-10(24)2-4-12(16)14(13)8-23/h1-7,23-24H,8H2
InChIKeyXLZQUMZSFHWOJM-UHFFFAOYSA-N
MW337.27 g/mol
LogP4.26
Rot. Bonds2

About 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol

3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol (PubChem CID 174242071) has the molecular formula C17H11F4NO2 and a molecular weight of 337.27 g/mol. Its IUPAC name is 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol.

Molecular Properties

Compound Name3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol
PubChem CID174242071
Molecular FormulaC17H11F4NO2
Molecular Weight337.27 g/mol
Exact Mass337.07
IUPAC Name3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol
SMILESOCc1c(-c2ccc(C(F)(F)F)cc2F)cnc2cc(O)ccc12
InChIInChI=1S/C17H11F4NO2/c18-15-5-9(17(19,20)21)1-3-11(15)13-7-22-16-6-10(24)2-4-12(16)14(13)8-23/h1-7,23-24H,8H2
InChIKeyXLZQUMZSFHWOJM-UHFFFAOYSA-N
XLogP4.26
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]-6-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-7-hydroxyquinolin-4-yl]-hydroxymethyl]benzene-1,2,4,5-tetrol
CID 169122647
3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[hydroxy-[2,3,5,6-tetradeuterio-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]quinolin-7-ol
CID 169013073
3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol
CID 175944346
4-methyl-7-(trifluoromethyl)quinolin-3-ol
CID 105484353
2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 170925615
2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol
CID 14209237
[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 21300955
[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089792
2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine
CID 118164419
(5S)-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol
CID 146603230
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563
4-[[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenol
CID 45274467

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol?
The IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol (CID 174242071) is 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol.
What is the SMILES notation for 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol?
The canonical SMILES for 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol is OCc1c(-c2ccc(C(F)(F)F)cc2F)cnc2cc(O)ccc12.
What is the InChIKey of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol?
The InChIKey is XLZQUMZSFHWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO2/c18-15-5-9(17(19,20)21)1-3-11(15)13-7-22-16-6-10(24)2-4-12(16)14(13)8-23/h1-7,23-24H,8H2.
What are the key properties of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol?
3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol has a molecular weight of 337.27 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol is sourced from PubChem (CID 174242071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).