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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Related Compounds

3-(2,2-difluoroethoxymethyl)-4-iodo-1-propan-2-ylpyrazole
CID 122171847
5-chloro-6-(2,2-difluoroethoxymethyl)-N-ethylpyridin-2-amine
CID 82005693
3-(2,2-difluoroethoxymethyl)-1-(2,2-difluoroethyl)-4-iodopyrazole
CID 122171854
4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole
CID 122170596
1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride
CID 122171803
3-(2,2-difluoroethoxymethyl)-1-methylpyrazole-4-carboxylic acid
CID 131537478
1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
CID 122170362
4-chloro-2-(2,2-difluoroethoxymethyl)pyridine
CID 82005069
2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride
CID 166163799
2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
CID 172816693
4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
CID 122170530
4-chloro-1-ethyl-3-(propan-2-yloxymethyl)pyrazole
CID 122170565

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).