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

C10H6F4N2O — CID 174706601

IUPAC2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2cc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C10H6F4N2O/c11-8-3-7(1-2-9(8)17)16-5-6(4-15-16)10(12,13)14/h1-5,17H
InChIKeyYDSOIOUMWJHNKL-UHFFFAOYSA-N
MW246.16 g/mol
LogP2.74
Rot. Bonds1

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

2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol (PubChem CID 174706601) has the molecular formula C10H6F4N2O and a molecular weight of 246.16 g/mol. Its IUPAC name is 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
PubChem CID174706601
Molecular FormulaC10H6F4N2O
Molecular Weight246.16 g/mol
Exact Mass246.04
IUPAC Name2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2cc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C10H6F4N2O/c11-8-3-7(1-2-9(8)17)16-5-6(4-15-16)10(12,13)14/h1-5,17H
InChIKeyYDSOIOUMWJHNKL-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
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-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol?
The IUPAC name of 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol (CID 174706601) is 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol is Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol?
The InChIKey is YDSOIOUMWJHNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O/c11-8-3-7(1-2-9(8)17)16-5-6(4-15-16)10(12,13)14/h1-5,17H.
What are the key properties of 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol?
2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol has a molecular weight of 246.16 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 174706601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).