[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol

C18H13F4NO — CID 135053925

IUPAC[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol
SMILESOC(c1ccc(-n2cccc2)cc1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H13F4NO/c19-13-5-8-15(16(11-13)18(20,21)22)17(24)12-3-6-14(7-4-12)23-9-1-2-10-23/h1-11,17,24H
InChIKeyCVJBPPTZUMBPPQ-UHFFFAOYSA-N
MW335.30 g/mol
LogP4.72
Rot. Bonds3

About [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol

[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol (PubChem CID 135053925) has the molecular formula C18H13F4NO and a molecular weight of 335.30 g/mol. Its IUPAC name is [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol.

Molecular Properties

Compound Name[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol
PubChem CID135053925
Molecular FormulaC18H13F4NO
Molecular Weight335.30 g/mol
Exact Mass335.09
IUPAC Name[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol
SMILESOC(c1ccc(-n2cccc2)cc1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H13F4NO/c19-13-5-8-15(16(11-13)18(20,21)22)17(24)12-3-6-14(7-4-12)23-9-1-2-10-23/h1-11,17,24H
InChIKeyCVJBPPTZUMBPPQ-UHFFFAOYSA-N
XLogP4.72
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
CID 171371245
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 54576991
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288455
[4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 23154981
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
3-bromo-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860504
1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820398

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?
The IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol (CID 135053925) is [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol.
What is the SMILES notation for [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?
The canonical SMILES for [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol is OC(c1ccc(-n2cccc2)cc1)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?
The InChIKey is CVJBPPTZUMBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO/c19-13-5-8-15(16(11-13)18(20,21)22)17(24)12-3-6-14(7-4-12)23-9-1-2-10-23/h1-11,17,24H.
What are the key properties of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?
[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol has a molecular weight of 335.30 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 135053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).