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

C12H13ClFN — CID 21258093

IUPAC1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
SMILESF/C=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/b12-9-
InChIKeyZPZOMXWFCQFSGQ-XFXZXTDPSA-N
MW225.69 g/mol
LogP3.70
Rot. Bonds2

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

1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine (PubChem CID 21258093) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
PubChem CID21258093
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC Name1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine
SMILESF/C=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/b12-9-
InChIKeyZPZOMXWFCQFSGQ-XFXZXTDPSA-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

2-(4-Chlorophenyl)-2-pyrrolidin-1-yl-acetonitrile
CID 24276601
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
Benzylamine, N,N-bis(2-chloroethyl)-p-chloro-
CID 19183
1-(4-Chlorobenzyl)azepane
CID 791184
2-(4-Chlorophenyl)pyrrolidine
CID 592391
1-(4-Chlorobenzyl)azocane
CID 792348
1-(2-Chlorobenzyl)pyrrolidine
CID 409434
2-(3-Chlorophenyl)-1-methylpyrrolidine
CID 44387137
Imidazolidine, 2-(p-chlorophenyl)-1,3-dimethyl-
CID 31827
Pyrrolidine, 1-(p-chloro-alpha-ethylbenzyl)-, hydrochloride
CID 3057462
Pyrrolidine, 1-(p-chloro-alpha-isopropylbenzyl)-, hydrochloride
CID 3057464
Pyrrolidine, 1-(1-(p-chlorophenyl)-3-methylbutyl)-, hydrochloride
CID 3057474

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
The IUPAC name of 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine (CID 21258093) is 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine is F/C=C(/c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
The InChIKey is ZPZOMXWFCQFSGQ-XFXZXTDPSA-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/b12-9-.
What are the key properties of 1-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine?
1-[(Z)-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-[(Z)-1-(4-chlorophenyl)-2-fluoroethenyl]pyrrolidine is sourced from PubChem (CID 21258093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).