[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol

C12H9F4NO — CID 55229452

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H9F4NO/c13-10-2-1-7(5-9(10)12(14,15)16)11(18)8-3-4-17-6-8/h1-6,11,17-18H
InChIKeyODFCUNDRHATYAR-UHFFFAOYSA-N
MW259.20 g/mol
LogP3.25
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol

[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol (PubChem CID 55229452) has the molecular formula C12H9F4NO and a molecular weight of 259.20 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol
PubChem CID55229452
Molecular FormulaC12H9F4NO
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H9F4NO/c13-10-2-1-7(5-9(10)12(14,15)16)11(18)8-3-4-17-6-8/h1-6,11,17-18H
InChIKeyODFCUNDRHATYAR-UHFFFAOYSA-N
XLogP3.25
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63749459
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(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63748931
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
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(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104514714
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol (CID 55229452) is [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol is OC(c1cc[nH]c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol?
The InChIKey is ODFCUNDRHATYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NO/c13-10-2-1-7(5-9(10)12(14,15)16)11(18)8-3-4-17-6-8/h1-6,11,17-18H.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol?
[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol has a molecular weight of 259.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 55229452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).