3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole

C11H8ClF3N2 — CID 165486429

IUPAC3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole
SMILESCn1cc(C(F)F)c(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C11H8ClF3N2/c1-17-5-7(11(14)15)10(16-17)6-3-2-4-8(12)9(6)13/h2-5,11H,1H3
InChIKeyRKLGBGQOONROFK-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.82
Rot. Bonds2

About 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole

3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole (PubChem CID 165486429) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole
PubChem CID165486429
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole
SMILESCn1cc(C(F)F)c(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C11H8ClF3N2/c1-17-5-7(11(14)15)10(16-17)6-3-2-4-8(12)9(6)13/h2-5,11H,1H3
InChIKeyRKLGBGQOONROFK-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole (CID 165486429) is 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole is Cn1cc(C(F)F)c(-c2cccc(Cl)c2F)n1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole?
The InChIKey is RKLGBGQOONROFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c1-17-5-7(11(14)15)10(16-17)6-3-2-4-8(12)9(6)13/h2-5,11H,1H3.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole?
3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole has a molecular weight of 260.65 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole is sourced from PubChem (CID 165486429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).