1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid

C12H12ClFO2 — CID 82622172

IUPAC1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2Cl)CCCC1
InChIInChI=1S/C12H12ClFO2/c13-10-4-3-8(14)7-9(10)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeySQFZOXLKFWQJAT-UHFFFAOYSA-N
MW242.68 g/mol
LogP3.38
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid

1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid (PubChem CID 82622172) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
PubChem CID82622172
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Name1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2Cl)CCCC1
InChIInChI=1S/C12H12ClFO2/c13-10-4-3-8(14)7-9(10)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeySQFZOXLKFWQJAT-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83711945
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
4-(2-chloro-4-fluorophenyl)oxane-4-carboxylic acid
CID 63033334
1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid (CID 82622172) is 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2cc(F)ccc2Cl)CCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid?
The InChIKey is SQFZOXLKFWQJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c13-10-4-3-8(14)7-9(10)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16).
What are the key properties of 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid?
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid has a molecular weight of 242.68 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82622172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).