3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine

C13H17ClFN — CID 83912664

IUPAC3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine
SMILESCC(CC1CCNC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFN/c1-9(6-10-4-5-16-8-10)11-2-3-12(14)13(15)7-11/h2-3,7,9-10,16H,4-6,8H2,1H3
InChIKeyFNKOVURLVUHUBX-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.58
Rot. Bonds3

About 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine

3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine (PubChem CID 83912664) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine
PubChem CID83912664
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine
SMILESCC(CC1CCNC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFN/c1-9(6-10-4-5-16-8-10)11-2-3-12(14)13(15)7-11/h2-3,7,9-10,16H,4-6,8H2,1H3
InChIKeyFNKOVURLVUHUBX-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
2-methyl-5-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83908693
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
3-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907317
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054195
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine?
The IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine (CID 83912664) is 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine.
What is the SMILES notation for 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine?
The canonical SMILES for 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine is CC(CC1CCNC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine?
The InChIKey is FNKOVURLVUHUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(6-10-4-5-16-8-10)11-2-3-12(14)13(15)7-11/h2-3,7,9-10,16H,4-6,8H2,1H3.
What are the key properties of 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine?
3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine has a molecular weight of 241.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine is sourced from PubChem (CID 83912664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).