4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole

C7H7ClF4N2O — CID 122171826

IUPAC4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole
SMILESFC(F)COCc1nn(C(F)F)cc1Cl
InChIInChI=1S/C7H7ClF4N2O/c8-4-1-14(7(11)12)13-5(4)2-15-3-6(9)10/h1,6-7H,2-3H2
InChIKeyIWLCPOBZRWNJFH-UHFFFAOYSA-N
MW246.59 g/mol
LogP2.71
Rot. Bonds5

About 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole

4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole (PubChem CID 122171826) has the molecular formula C7H7ClF4N2O and a molecular weight of 246.59 g/mol. Its IUPAC name is 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole
PubChem CID122171826
Molecular FormulaC7H7ClF4N2O
Molecular Weight246.59 g/mol
Exact Mass246.02
IUPAC Name4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole
SMILESFC(F)COCc1nn(C(F)F)cc1Cl
InChIInChI=1S/C7H7ClF4N2O/c8-4-1-14(7(11)12)13-5(4)2-15-3-6(9)10/h1,6-7H,2-3H2
InChIKeyIWLCPOBZRWNJFH-UHFFFAOYSA-N
XLogP2.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole (CID 122171826) is 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole is FC(F)COCc1nn(C(F)F)cc1Cl.
What is the InChIKey of 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole?
The InChIKey is IWLCPOBZRWNJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF4N2O/c8-4-1-14(7(11)12)13-5(4)2-15-3-6(9)10/h1,6-7H,2-3H2.
What are the key properties of 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole?
4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole has a molecular weight of 246.59 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole is sourced from PubChem (CID 122171826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).