1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole

C11H7ClF4N2 — CID 118286964

IUPAC1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole
SMILESCc1c(-n2cc(C(F)(F)F)cn2)ccc(Cl)c1F
InChIInChI=1S/C11H7ClF4N2/c1-6-9(3-2-8(12)10(6)13)18-5-7(4-17-18)11(14,15)16/h2-5H,1H3
InChIKeyRMNNRQXTJDRDQU-UHFFFAOYSA-N
MW278.64 g/mol
LogP3.99
Rot. Bonds1

About 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole

1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 118286964) has the molecular formula C11H7ClF4N2 and a molecular weight of 278.64 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole
PubChem CID118286964
Molecular FormulaC11H7ClF4N2
Molecular Weight278.64 g/mol
Exact Mass278.02
IUPAC Name1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole
SMILESCc1c(-n2cc(C(F)(F)F)cn2)ccc(Cl)c1F
InChIInChI=1S/C11H7ClF4N2/c1-6-9(3-2-8(12)10(6)13)18-5-7(4-17-18)11(14,15)16/h2-5H,1H3
InChIKeyRMNNRQXTJDRDQU-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.64
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole (CID 118286964) is 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole is Cc1c(-n2cc(C(F)(F)F)cn2)ccc(Cl)c1F.
What is the InChIKey of 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is RMNNRQXTJDRDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N2/c1-6-9(3-2-8(12)10(6)13)18-5-7(4-17-18)11(14,15)16/h2-5H,1H3.
What are the key properties of 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole?
1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 278.64 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118286964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).