4-chloro-1-(2,2-difluoroethyl)pyrazole

C5H5ClF2N2 — CID 76540735

IUPAC4-chloro-1-(2,2-difluoroethyl)pyrazole
SMILESFC(F)Cn1cc(Cl)cn1
InChIInChI=1S/C5H5ClF2N2/c6-4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2
InChIKeyHMCJBLVIVMYCCN-UHFFFAOYSA-N
MW166.56 g/mol
LogP1.80
Rot. Bonds2

About 4-chloro-1-(2,2-difluoroethyl)pyrazole

4-chloro-1-(2,2-difluoroethyl)pyrazole (PubChem CID 76540735) has the molecular formula C5H5ClF2N2 and a molecular weight of 166.56 g/mol. Its IUPAC name is 4-chloro-1-(2,2-difluoroethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(2,2-difluoroethyl)pyrazole
PubChem CID76540735
Molecular FormulaC5H5ClF2N2
Molecular Weight166.56 g/mol
Exact Mass166.01
IUPAC Name4-chloro-1-(2,2-difluoroethyl)pyrazole
SMILESFC(F)Cn1cc(Cl)cn1
InChIInChI=1S/C5H5ClF2N2/c6-4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2
InChIKeyHMCJBLVIVMYCCN-UHFFFAOYSA-N
XLogP1.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2-difluoroethyl)pyrazole?
The IUPAC name of 4-chloro-1-(2,2-difluoroethyl)pyrazole (CID 76540735) is 4-chloro-1-(2,2-difluoroethyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(2,2-difluoroethyl)pyrazole?
The canonical SMILES for 4-chloro-1-(2,2-difluoroethyl)pyrazole is FC(F)Cn1cc(Cl)cn1.
What is the InChIKey of 4-chloro-1-(2,2-difluoroethyl)pyrazole?
The InChIKey is HMCJBLVIVMYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2/c6-4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2.
What are the key properties of 4-chloro-1-(2,2-difluoroethyl)pyrazole?
4-chloro-1-(2,2-difluoroethyl)pyrazole has a molecular weight of 166.56 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,2-difluoroethyl)pyrazole is sourced from PubChem (CID 76540735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).