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

C12H12BrFO2 — CID 81007752

IUPAC2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1cc(Br)ccc1F
InChIInChI=1S/C12H12BrFO2/c13-7-4-5-11(14)10(6-7)8-2-1-3-9(8)12(15)16/h4-6,8-9H,1-3H2,(H,15,16)
InChIKeyIDQIWBIFRPWFLS-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.56
Rot. Bonds2

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

2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid (PubChem CID 81007752) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
PubChem CID81007752
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1cc(Br)ccc1F
InChIInChI=1S/C12H12BrFO2/c13-7-4-5-11(14)10(6-7)8-2-1-3-9(8)12(15)16/h4-6,8-9H,1-3H2,(H,15,16)
InChIKeyIDQIWBIFRPWFLS-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)cycloheptane-1-carboxylic acid
CID 81008326
2-(2-fluoro-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 81009348
trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
2-(3-bromo-2,6-difluorophenyl)cycloheptane-1-carboxylic acid
CID 106943848
2-(2,5-dichlorophenyl)cycloheptane-1-carboxylic acid
CID 79015259
2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
CID 81014478
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
CID 70306555
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid (CID 81007752) is 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid?
The InChIKey is IDQIWBIFRPWFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-7-4-5-11(14)10(6-7)8-2-1-3-9(8)12(15)16/h4-6,8-9H,1-3H2,(H,15,16).
What are the key properties of 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid?
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid has a molecular weight of 287.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81007752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).