(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine

C7H12FN — CID 172577484

IUPAC(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC1C/C(=C\F)CN1C
InChIInChI=1S/C7H12FN/c1-6-3-7(4-8)5-9(6)2/h4,6H,3,5H2,1-2H3/b7-4+
InChIKeyLIGRLKRTLBTDPH-QPJJXVBHSA-N
MW129.18 g/mol
LogP1.56
Rot. Bonds

About (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine

(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine (PubChem CID 172577484) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
PubChem CID172577484
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC1C/C(=C\F)CN1C
InChIInChI=1S/C7H12FN/c1-6-3-7(4-8)5-9(6)2/h4,6H,3,5H2,1-2H3/b7-4+
InChIKeyLIGRLKRTLBTDPH-QPJJXVBHSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine 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-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)pyrrolidine
CID 124118200
(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 126637121
4-(Difluoromethylidene)-1,2-dimethylpyrrolidine
CID 126641525
2-Ethenyl-1-ethyl-4-fluoropyrrolidine
CID 156099572
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
1-(2-Methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine
CID 163590861
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
2-Ethenyl-1-(2-fluoroethyl)pyrrolidine
CID 164922067
(2R,4S)-4-fluoro-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 166928477
(4E)-2-ethyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 169130389
(3Z)-3-(fluoromethylidene)-1-methylpyrrolidine
CID 169182017
2-Ethenyl-3,3-difluoro-1-methylpyrrolidine
CID 169182565

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine (CID 172577484) is (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine is CC1C/C(=C\F)CN1C.
What is the InChIKey of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The InChIKey is LIGRLKRTLBTDPH-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12FN/c1-6-3-7(4-8)5-9(6)2/h4,6H,3,5H2,1-2H3/b7-4+.
What are the key properties of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 172577484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).