4-(difluoromethylidene)-1,2-dimethylpyrrolidine

C7H11F2N — CID 126641525

IUPAC4-(difluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC1CC(=C(F)F)CN1C
InChIInChI=1S/C7H11F2N/c1-5-3-6(7(8)9)4-10(5)2/h5H,3-4H2,1-2H3
InChIKeyYLVFXSSKBOBSLG-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.86
Rot. Bonds

About 4-(difluoromethylidene)-1,2-dimethylpyrrolidine

4-(difluoromethylidene)-1,2-dimethylpyrrolidine (PubChem CID 126641525) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,2-dimethylpyrrolidine
PubChem CID126641525
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-(difluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC1CC(=C(F)F)CN1C
InChIInChI=1S/C7H11F2N/c1-5-3-6(7(8)9)4-10(5)2/h5H,3-4H2,1-2H3
InChIKeyYLVFXSSKBOBSLG-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,2-dimethylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-1,2-dimethylpyrrolidine (CID 126641525) is 4-(difluoromethylidene)-1,2-dimethylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-1,2-dimethylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-1,2-dimethylpyrrolidine is CC1CC(=C(F)F)CN1C.
What is the InChIKey of 4-(difluoromethylidene)-1,2-dimethylpyrrolidine?
The InChIKey is YLVFXSSKBOBSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-5-3-6(7(8)9)4-10(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-1,2-dimethylpyrrolidine?
4-(difluoromethylidene)-1,2-dimethylpyrrolidine has a molecular weight of 147.17 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 126641525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).