1-(2,2-difluoroethyl)-3-methylpyrazole

C6H8F2N2 — CID 25247454

IUPAC1-(2,2-difluoroethyl)-3-methylpyrazole
SMILESCc1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N2/c1-5-2-3-10(9-5)4-6(7)8/h2-3,6H,4H2,1H3
InChIKeySCFFDUFEEHNHKI-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.46
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpyrazole

1-(2,2-difluoroethyl)-3-methylpyrazole (PubChem CID 25247454) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyrazole
PubChem CID25247454
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name1-(2,2-difluoroethyl)-3-methylpyrazole
SMILESCc1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N2/c1-5-2-3-10(9-5)4-6(7)8/h2-3,6H,4H2,1H3
InChIKeySCFFDUFEEHNHKI-UHFFFAOYSA-N
XLogP1.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrazole (CID 25247454) is 1-(2,2-difluoroethyl)-3-methylpyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpyrazole is Cc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyrazole?
The InChIKey is SCFFDUFEEHNHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-5-2-3-10(9-5)4-6(7)8/h2-3,6H,4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyrazole?
1-(2,2-difluoroethyl)-3-methylpyrazole has a molecular weight of 146.14 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpyrazole is sourced from PubChem (CID 25247454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).