[4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

C14H10F6N2O3 — CID 55547387

IUPAC[4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESO=C(Cn1ccc(C(F)(F)F)n1)OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F6N2O3/c15-13(16,17)11-5-6-22(21-11)7-12(23)24-8-9-1-3-10(4-2-9)25-14(18,19)20/h1-6H,7-8H2
InChIKeyFBAWCFAHFXFXGE-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.54
Rot. Bonds5

About [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

[4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 55547387) has the molecular formula C14H10F6N2O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID55547387
Molecular FormulaC14H10F6N2O3
Molecular Weight368.23 g/mol
Exact Mass368.06
IUPAC Name[4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESO=C(Cn1ccc(C(F)(F)F)n1)OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F6N2O3/c15-13(16,17)11-5-6-22(21-11)7-12(23)24-8-9-1-3-10(4-2-9)25-14(18,19)20/h1-6H,7-8H2
InChIKeyFBAWCFAHFXFXGE-UHFFFAOYSA-N
XLogP3.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (CID 55547387) is [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is O=C(Cn1ccc(C(F)(F)F)n1)OCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is FBAWCFAHFXFXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O3/c15-13(16,17)11-5-6-22(21-11)7-12(23)24-8-9-1-3-10(4-2-9)25-14(18,19)20/h1-6H,7-8H2.
What are the key properties of [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
[4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 368.23 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 55547387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).