(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine

C9H16FNO — CID 176664030

IUPAC(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
SMILESCOC(C)C1/C(=C/F)CCN1C
InChIInChI=1S/C9H16FNO/c1-7(12-3)9-8(6-10)4-5-11(9)2/h6-7,9H,4-5H2,1-3H3/b8-6+
InChIKeyKILXQQAYYRKNMI-SOFGYWHQSA-N
MW173.23 g/mol
LogP1.58
Rot. Bonds2

About (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine

(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine (PubChem CID 176664030) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
PubChem CID176664030
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
SMILESCOC(C)C1/C(=C/F)CCN1C
InChIInChI=1S/C9H16FNO/c1-7(12-3)9-8(6-10)4-5-11(9)2/h6-7,9H,4-5H2,1-3H3/b8-6+
InChIKeyKILXQQAYYRKNMI-SOFGYWHQSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine 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

(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S,4S)-4-fluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
CID 167294897
(4Z)-4-(1-fluoroethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247047
3-(Difluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247096
3-(Difluoromethylidene)-2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 172247290
(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380414
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175
4-(Difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568224
4-(Difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568485
2-(Butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine
CID 176568571
4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 176663743

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine?
The IUPAC name of (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine (CID 176664030) is (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine?
The canonical SMILES for (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine is COC(C)C1/C(=C/F)CCN1C.
What is the InChIKey of (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine?
The InChIKey is KILXQQAYYRKNMI-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(12-3)9-8(6-10)4-5-11(9)2/h6-7,9H,4-5H2,1-3H3/b8-6+.
What are the key properties of (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine?
(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine has a molecular weight of 173.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176664030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).