[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol

C12H10F4N2O — CID 171364630

IUPAC[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnn(CC(F)(F)F)c2)c1F
InChIInChI=1S/C12H10F4N2O/c13-11-8(6-19)2-1-3-10(11)9-4-17-18(5-9)7-12(14,15)16/h1-5,19H,6-7H2
InChIKeyGYIPOLDIPIWTTB-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.74
Rot. Bonds3

About [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol

[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol (PubChem CID 171364630) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
PubChem CID171364630
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnn(CC(F)(F)F)c2)c1F
InChIInChI=1S/C12H10F4N2O/c13-11-8(6-19)2-1-3-10(11)9-4-17-18(5-9)7-12(14,15)16/h1-5,19H,6-7H2
InChIKeyGYIPOLDIPIWTTB-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol (CID 171364630) is [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol is OCc1cccc(-c2cnn(CC(F)(F)F)c2)c1F.
What is the InChIKey of [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol?
The InChIKey is GYIPOLDIPIWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c13-11-8(6-19)2-1-3-10(11)9-4-17-18(5-9)7-12(14,15)16/h1-5,19H,6-7H2.
What are the key properties of [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol?
[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol has a molecular weight of 274.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol is sourced from PubChem (CID 171364630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).