[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol

C11H8F4N2O — CID 166089100

IUPAC[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnn(C(F)(F)F)c2)cc1F
InChIInChI=1S/C11H8F4N2O/c12-10-3-7(1-2-8(10)6-18)9-4-16-17(5-9)11(13,14)15/h1-5,18H,6H2
InChIKeySOELCHUEMSFDSO-UHFFFAOYSA-N
MW260.19 g/mol
LogP2.66
Rot. Bonds2

About [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol

[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol (PubChem CID 166089100) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol
PubChem CID166089100
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC Name[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnn(C(F)(F)F)c2)cc1F
InChIInChI=1S/C11H8F4N2O/c12-10-3-7(1-2-8(10)6-18)9-4-16-17(5-9)11(13,14)15/h1-5,18H,6H2
InChIKeySOELCHUEMSFDSO-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 164885241
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
CID 171392254
[4-(4-ethenylphenyl)-2-fluorophenyl]methanol
CID 89129319
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol
CID 171392247
2-[4-(1-tert-butylpyrazol-4-yl)-2-fluorophenoxy]acetic acid
CID 167933942
2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid
CID 170835887
[4-[tert-butyl(dimethyl)silyl]-2-fluorophenyl]methanol
CID 139673225
(3S)-N-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-3-amine
CID 164867454
N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
CID 163382956

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol (CID 166089100) is [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol is OCc1ccc(-c2cnn(C(F)(F)F)c2)cc1F.
What is the InChIKey of [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
The InChIKey is SOELCHUEMSFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c12-10-3-7(1-2-8(10)6-18)9-4-16-17(5-9)11(13,14)15/h1-5,18H,6H2.
What are the key properties of [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol has a molecular weight of 260.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol is sourced from PubChem (CID 166089100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).