3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine

C12H15ClFN — CID 105485073

IUPAC3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
SMILESFC(CC1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClFN/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h1-4,9,12,15H,5-8H2
InChIKeyXLUVVHKTFABYAU-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.35
Rot. Bonds3

About 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine

3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine (PubChem CID 105485073) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
PubChem CID105485073
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
SMILESFC(CC1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClFN/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h1-4,9,12,15H,5-8H2
InChIKeyXLUVVHKTFABYAU-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
CID 105478233
4-(1-fluoro-2-piperidin-4-ylethyl)phenol
CID 105480837
3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine
CID 83912664
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
CID 84802962
3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
CID 62372661
2-fluoro-3-pyrrolidin-3-ylpropanal
CID 105428766
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
CID 84791855

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine (CID 105485073) is 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine is FC(CC1CCNC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine?
The InChIKey is XLUVVHKTFABYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h1-4,9,12,15H,5-8H2.
What are the key properties of 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine?
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine has a molecular weight of 227.71 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine is sourced from PubChem (CID 105485073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).