4-(Difluoromethylidene)-3,3-dimethyl-4,5-dihydro-3H-pyrazole
Basic information
- CAS
89210-55-9- Standard SMILES
CC1(C)N=NCC1=C(F)F- InChIKey
LNFSDKKWBPBXNH-UHFFFAOYSA-N- Molecular formula
- C6H8F2N2
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.06555459
Names & identifiers
- Preferred name
- 4-(Difluoromethylidene)-3,3-dimethyl-4,5-dihydro-3H-pyrazole
- IUPAC
- 4-(difluoromethylidene)-5,5-dimethyl-3H-pyrazole
Names & synonyms
DTXSID8075239389210-55-94-(Difluoromethylidene)-3,3-dimethyl-4,5-dihydro-3H-pyrazoleRefChem:288853DTXCID707031374-difluoromethylene-3,3-dimethyl-4,5-dihydro-3h-pyrazole
Database identifiers
- CAS
89210-55-9- PubChem CID
- 71322742
- DTXSID
DTXSID80752393
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 202
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Compound notes
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