2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid

C13H14ClFO2 — CID 114862572

IUPAC2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H14ClFO2/c14-10-5-4-9(12(15)7-10)6-8-2-1-3-11(8)13(16)17/h4-5,7-8,11H,1-3,6H2,(H,16,17)
InChIKeyAWPZQQPHFKWPSO-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.52
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid

2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 114862572) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID114862572
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H14ClFO2/c14-10-5-4-9(12(15)7-10)6-8-2-1-3-11(8)13(16)17/h4-5,7-8,11H,1-3,6H2,(H,16,17)
InChIKeyAWPZQQPHFKWPSO-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 114857906
2-[(5-chloro-2-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103051728
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 102568503
2-[[4-(1-adamantylmethoxy)-5-chloro-2-fluorophenyl]methyl]cyclopentane-1-carboxylic acid
CID 148941051
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
4-[(4-chloro-2-fluorophenyl)methyl]thiolan-3-ol
CID 114857897
2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008089

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid (CID 114862572) is 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is AWPZQQPHFKWPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c14-10-5-4-9(12(15)7-10)6-8-2-1-3-11(8)13(16)17/h4-5,7-8,11H,1-3,6H2,(H,16,17).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid?
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.70 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114862572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).