(3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine

C11H20FN — CID 177053747

IUPAC(3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine
SMILESCCCC(C)C1/C(=C/F)CCN1C
InChIInChI=1S/C11H20FN/c1-4-5-9(2)11-10(8-12)6-7-13(11)3/h8-9,11H,4-7H2,1-3H3/b10-8+
InChIKeyAWLOCEUONMMBPP-CSKARUKUSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds3

About (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine

(3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine (PubChem CID 177053747) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine
PubChem CID177053747
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine
SMILESCCCC(C)C1/C(=C/F)CCN1C
InChIInChI=1S/C11H20FN/c1-4-5-9(2)11-10(8-12)6-7-13(11)3/h8-9,11H,4-7H2,1-3H3/b10-8+
InChIKeyAWLOCEUONMMBPP-CSKARUKUSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
4-(Difluoromethylidene)-1,2-di(propan-2-yl)pyrrolidine
CID 130232269
Butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium
CID 146650902
1-(2-Fluoro-2-methylbutyl)-3-prop-1-en-2-ylpyrrolidine
CID 154974300
2-[2-(Fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine
CID 155418263
(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
(2R,4S)-4-fluoro-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 166928477
(4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 166984290
(3R)-1-(3-fluoropropyl)-3-prop-1-en-2-ylpyrrolidine
CID 167072840

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine?
The IUPAC name of (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine (CID 177053747) is (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine?
The canonical SMILES for (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine is CCCC(C)C1/C(=C/F)CCN1C.
What is the InChIKey of (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine?
The InChIKey is AWLOCEUONMMBPP-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-5-9(2)11-10(8-12)6-7-13(11)3/h8-9,11H,4-7H2,1-3H3/b10-8+.
What are the key properties of (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine?
(3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-1-methyl-2-pentan-2-ylpyrrolidine is sourced from PubChem (CID 177053747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).