1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate

C12H11ClFO2- — CID 7678896

IUPAC1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C([O-])C1(c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C12H12ClFO2/c13-8-4-3-5-9(14)10(8)12(11(15)16)6-1-2-7-12/h3-5H,1-2,6-7H2,(H,15,16)/p-1
InChIKeyXFWCGCJZUQAJGP-UHFFFAOYSA-M
MW241.67 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate

1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 7678896) has the molecular formula C12H11ClFO2- and a molecular weight of 241.67 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID7678896
Molecular FormulaC12H11ClFO2-
Molecular Weight241.67 g/mol
Exact Mass241.04
IUPAC Name1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C([O-])C1(c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C12H12ClFO2/c13-8-4-3-5-9(14)10(8)12(11(15)16)6-1-2-7-12/h3-5H,1-2,6-7H2,(H,15,16)/p-1
InChIKeyXFWCGCJZUQAJGP-UHFFFAOYSA-M
XLogP2.04
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate 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

1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861
1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
CID 82284313
1-(2-chloro-6-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64904824
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006203
1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 6931371
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
1-(2-chloro-6-fluorophenyl)-N-[1-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]cyclopentane-1-carboxamide
CID 91486146
2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
CID 82084820
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol
CID 79330942
1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
CID 83808662

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate (CID 7678896) is 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate is O=C([O-])C1(c2c(F)cccc2Cl)CCCC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is XFWCGCJZUQAJGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12ClFO2/c13-8-4-3-5-9(14)10(8)12(11(15)16)6-1-2-7-12/h3-5H,1-2,6-7H2,(H,15,16)/p-1.
What are the key properties of 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate?
1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 241.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 7678896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).