[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol

C9H8F4O2 — CID 171014426

IUPAC[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
SMILESCOc1cc(CO)cc(C(F)(F)F)c1F
InChIInChI=1S/C9H8F4O2/c1-15-7-3-5(4-14)2-6(8(7)10)9(11,12)13/h2-3,14H,4H2,1H3
InChIKeyAAZQLDFSEBRIPI-UHFFFAOYSA-N
MW224.15 g/mol
LogP2.35
Rot. Bonds2

About [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol

[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol (PubChem CID 171014426) has the molecular formula C9H8F4O2 and a molecular weight of 224.15 g/mol. Its IUPAC name is [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
PubChem CID171014426
Molecular FormulaC9H8F4O2
Molecular Weight224.15 g/mol
Exact Mass224.05
IUPAC Name[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
SMILESCOc1cc(CO)cc(C(F)(F)F)c1F
InChIInChI=1S/C9H8F4O2/c1-15-7-3-5(4-14)2-6(8(7)10)9(11,12)13/h2-3,14H,4H2,1H3
InChIKeyAAZQLDFSEBRIPI-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
CID 84691885
5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene
CID 134623064
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
CID 134638808
[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol
CID 68686622
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol (CID 171014426) is [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol is COc1cc(CO)cc(C(F)(F)F)c1F.
What is the InChIKey of [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is AAZQLDFSEBRIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2/c1-15-7-3-5(4-14)2-6(8(7)10)9(11,12)13/h2-3,14H,4H2,1H3.
What are the key properties of [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol?
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 224.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 171014426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).