[3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol

C11H7F5N2O2 — CID 118686178

IUPAC[3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol
SMILESOCc1cc(F)c(Oc2cnn(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C11H7F5N2O2/c12-8-1-6(5-19)2-9(13)10(8)20-7-3-17-18(4-7)11(14,15)16/h1-4,19H,5H2
InChIKeyJSBMZBRPZDEYOR-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.92
Rot. Bonds3

About [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol

[3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol (PubChem CID 118686178) has the molecular formula C11H7F5N2O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol
PubChem CID118686178
Molecular FormulaC11H7F5N2O2
Molecular Weight294.18 g/mol
Exact Mass294.04
IUPAC Name[3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol
SMILESOCc1cc(F)c(Oc2cnn(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C11H7F5N2O2/c12-8-1-6(5-19)2-9(13)10(8)20-7-3-17-18(4-7)11(14,15)16/h1-4,19H,5H2
InChIKeyJSBMZBRPZDEYOR-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol (CID 118686178) is [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol is OCc1cc(F)c(Oc2cnn(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol?
The InChIKey is JSBMZBRPZDEYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O2/c12-8-1-6(5-19)2-9(13)10(8)20-7-3-17-18(4-7)11(14,15)16/h1-4,19H,5H2.
What are the key properties of [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol?
[3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol has a molecular weight of 294.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 118686178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).