3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine

C8H13F2N — CID 156564078

IUPAC3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine
SMILESC=C1CN(C)CC1(C)C(F)F
InChIInChI=1S/C8H13F2N/c1-6-4-11(3)5-8(6,2)7(9)10/h7H,1,4-5H2,2-3H3
InChIKeyLMAXXXQLMBMTJP-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.76
Rot. Bonds1

About 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine

3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine (PubChem CID 156564078) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Name3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine
PubChem CID156564078
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine
SMILESC=C1CN(C)CC1(C)C(F)F
InChIInChI=1S/C8H13F2N/c1-6-4-11(3)5-8(6,2)7(9)10/h7H,1,4-5H2,2-3H3
InChIKeyLMAXXXQLMBMTJP-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118179
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)pyrrolidine
CID 124118180
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)pyrrolidine
CID 134531049
3-(Difluoromethylidene)-1-methylpyrrolidine
CID 167272214
(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine
CID 169182017
(3E)-3-(fluoromethylidene)-1-methylpyrrolidine
CID 172577303
3-Fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 130621575
3,3-Difluoro-1-(2-methylidenebutyl)pyrrolidine
CID 130634874
3,3-Difluoro-1-(3-methylbut-3-enyl)pyrrolidine
CID 131177753
1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 162620213
1,3,3-Trimethyl-4-methylidenepyrrolidine
CID 57908106
1-(2,2-Dimethylbutyl)-3-methylidenepyrrolidine
CID 153546925

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine?
The IUPAC name of 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine (CID 156564078) is 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine.
What is the SMILES notation for 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine?
The canonical SMILES for 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine is C=C1CN(C)CC1(C)C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine?
The InChIKey is LMAXXXQLMBMTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6-4-11(3)5-8(6,2)7(9)10/h7H,1,4-5H2,2-3H3.
What are the key properties of 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine?
3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,3-dimethyl-4-methylidenepyrrolidine is sourced from PubChem (CID 156564078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).