(4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine

C9H16FN — CID 178087818

IUPAC(4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C/C(=C/F)CC1C
InChIInChI=1S/C9H16FN/c1-7(2)11-6-9(5-10)4-8(11)3/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyJQTIJLWAMTXNGJ-WEVVVXLNSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds1

About (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine

(4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 178087818) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
PubChem CID178087818
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C/C(=C/F)CC1C
InChIInChI=1S/C9H16FN/c1-7(2)11-6-9(5-10)4-8(11)3/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyJQTIJLWAMTXNGJ-WEVVVXLNSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine (CID 178087818) is (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine is CC(C)N1C/C(=C/F)CC1C.
What is the InChIKey of (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is JQTIJLWAMTXNGJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)11-6-9(5-10)4-8(11)3/h5,7-8H,4,6H2,1-3H3/b9-5+.
What are the key properties of (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
(4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 178087818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).