3-(difluoromethylidene)-1-methylpyrrolidine

C6H9F2N — CID 167272214

IUPAC3-(difluoromethylidene)-1-methylpyrrolidine
SMILESCN1CCC(=C(F)F)C1
InChIInChI=1S/C6H9F2N/c1-9-3-2-5(4-9)6(7)8/h2-4H2,1H3
InChIKeyDLUNFRMEJIMSMS-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.47
Rot. Bonds

About 3-(difluoromethylidene)-1-methylpyrrolidine

3-(difluoromethylidene)-1-methylpyrrolidine (PubChem CID 167272214) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-methylpyrrolidine
PubChem CID167272214
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name3-(difluoromethylidene)-1-methylpyrrolidine
SMILESCN1CCC(=C(F)F)C1
InChIInChI=1S/C6H9F2N/c1-9-3-2-5(4-9)6(7)8/h2-4H2,1H3
InChIKeyDLUNFRMEJIMSMS-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-methylpyrrolidine?
The IUPAC name of 3-(difluoromethylidene)-1-methylpyrrolidine (CID 167272214) is 3-(difluoromethylidene)-1-methylpyrrolidine.
What is the SMILES notation for 3-(difluoromethylidene)-1-methylpyrrolidine?
The canonical SMILES for 3-(difluoromethylidene)-1-methylpyrrolidine is CN1CCC(=C(F)F)C1.
What is the InChIKey of 3-(difluoromethylidene)-1-methylpyrrolidine?
The InChIKey is DLUNFRMEJIMSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-9-3-2-5(4-9)6(7)8/h2-4H2,1H3.
What are the key properties of 3-(difluoromethylidene)-1-methylpyrrolidine?
3-(difluoromethylidene)-1-methylpyrrolidine has a molecular weight of 133.14 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-methylpyrrolidine is sourced from PubChem (CID 167272214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).