[4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol

C12H10F4N2O — CID 66657432

IUPAC[4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H10F4N2O/c1-18-10(4-5-17-18)11(19)8-3-2-7(13)6-9(8)12(14,15)16/h2-6,11,19H,1H3
InChIKeyYTJIRCMCNZRWES-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.66
Rot. Bonds2

About [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol

[4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 66657432) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
PubChem CID66657432
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name[4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H10F4N2O/c1-18-10(4-5-17-18)11(19)8-3-2-7(13)6-9(8)12(14,15)16/h2-6,11,19H,1H3
InChIKeyYTJIRCMCNZRWES-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol (CID 66657432) is [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is YTJIRCMCNZRWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-18-10(4-5-17-18)11(19)8-3-2-7(13)6-9(8)12(14,15)16/h2-6,11,19H,1H3.
What are the key properties of [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
[4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 274.22 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 [4-fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 66657432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).