1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone

C14H13F3N2O2 — CID 175386633

IUPAC1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1ccnn1C(F)C(F)F
InChIInChI=1S/C14H13F3N2O2/c1-9(20)11-4-2-3-5-12(11)21-8-10-6-7-18-19(10)14(17)13(15)16/h2-7,13-14H,8H2,1H3
InChIKeyGZVXBIOHLIMKDE-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.40
Rot. Bonds6

About 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone

1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone (PubChem CID 175386633) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
PubChem CID175386633
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1ccnn1C(F)C(F)F
InChIInChI=1S/C14H13F3N2O2/c1-9(20)11-4-2-3-5-12(11)21-8-10-6-7-18-19(10)14(17)13(15)16/h2-7,13-14H,8H2,1H3
InChIKeyGZVXBIOHLIMKDE-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone (CID 175386633) is 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCc1ccnn1C(F)C(F)F.
What is the InChIKey of 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
The InChIKey is GZVXBIOHLIMKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-9(20)11-4-2-3-5-12(11)21-8-10-6-7-18-19(10)14(17)13(15)16/h2-7,13-14H,8H2,1H3.
What are the key properties of 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone has a molecular weight of 298.26 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 175386633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).