1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine

C12H13ClFN — CID 54560181

IUPAC1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
SMILESFC=C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C12H13ClFN/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,9H,1-2,7-8H2
InChIKeyZPZOMXWFCQFSGQ-UHFFFAOYSA-N
MW225.69 g/mol
LogP3.70
Rot. Bonds2

About 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine

1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine (PubChem CID 54560181) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
PubChem CID54560181
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC Name1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
SMILESFC=C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C12H13ClFN/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,9H,1-2,7-8H2
InChIKeyZPZOMXWFCQFSGQ-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-piperidin-1-ylmethanethione
CID 617434
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135
N-(4-chlorobenzoyl)pyrrolidine-1-carboximidoyl chloride
CID 12618866
(E)-1-(4-chlorophenyl)-3-pyrrolidin-1-ylpent-2-en-1-one
CID 122389564
(E)-3-(azepan-1-yl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 97378367
(E)-1-(4-chlorophenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 877875
(3-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanimine
CID 63179175
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
2-(4-chlorobenzoyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 47052848
(E)-3-(4-chlorophenyl)-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 110298696
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine (CID 54560181) is 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine is FC=C(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
The InChIKey is ZPZOMXWFCQFSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,9H,1-2,7-8H2.
What are the key properties of 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine has a molecular weight of 225.69 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine is sourced from PubChem (CID 54560181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).