3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid

C14H17ClFNO2 — CID 64527170

IUPAC3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(c1ccc(F)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H17ClFNO2/c1-14(9-13(18)19,17-6-2-3-7-17)10-4-5-12(16)11(15)8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyGQIUOJIHJDDUJB-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.26
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid

3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid (PubChem CID 64527170) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
PubChem CID64527170
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(c1ccc(F)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H17ClFNO2/c1-14(9-13(18)19,17-6-2-3-7-17)10-4-5-12(16)11(15)8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyGQIUOJIHJDDUJB-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid 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

3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)butanoic acid
CID 64529090
3-(2,4-dichloro-5-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64528143
3-(azepan-1-yl)-3-(2,5-dichlorophenyl)butanoic acid
CID 64527529
3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64526651
4-amino-3-(3-chloro-4-fluorophenyl)-3,4-dimethylpentanoic acid
CID 66089545
3-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 64529122
3-(3-chloro-4-fluorophenyl)-3-(dimethylamino)butanoic acid
CID 64528554
3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid
CID 64528314
3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937
3-(2,6-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527211
3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527221
3-(azepan-1-yl)-3-(3-bromophenyl)butanoic acid
CID 64527330

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid (CID 64527170) is 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid is CC(CC(=O)O)(c1ccc(F)c(Cl)c1)N1CCCC1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid?
The InChIKey is GQIUOJIHJDDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-14(9-13(18)19,17-6-2-3-7-17)10-4-5-12(16)11(15)8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid?
3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid has a molecular weight of 285.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 64527170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).