4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

C14H26FNO — CID 164922069

IUPAC4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC(C)C)CC(/C=C/F)CN1C
InChIInChI=1S/C14H26FNO/c1-5-7-14(11-17-12(2)3)9-13(6-8-15)10-16(14)4/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6+
InChIKeyVRFDYDGFHUBZAE-SOFGYWHQSA-N
MW243.37 g/mol
LogP3.39
Rot. Bonds6

About 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (PubChem CID 164922069) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
PubChem CID164922069
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC(C)C)CC(/C=C/F)CN1C
InChIInChI=1S/C14H26FNO/c1-5-7-14(11-17-12(2)3)9-13(6-8-15)10-16(14)4/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6+
InChIKeyVRFDYDGFHUBZAE-SOFGYWHQSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine 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

2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921895
2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921952
(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380414
(2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177009808
(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177009853
(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 164922210
(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380398
(4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177010240
8-(Propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170278680
ethane;(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methyl-2-propylpyrrolidine
CID 172380397
1-Methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 176921046
ethane;(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177009852

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The IUPAC name of 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (CID 164922069) is 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.
What is the SMILES notation for 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The canonical SMILES for 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is CCCC1(COC(C)C)CC(/C=C/F)CN1C.
What is the InChIKey of 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The InChIKey is VRFDYDGFHUBZAE-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H26FNO/c1-5-7-14(11-17-12(2)3)9-13(6-8-15)10-16(14)4/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6+.
What are the key properties of 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine has a molecular weight of 243.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is sourced from PubChem (CID 164922069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).