2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid

C13H14F2O2 — CID 83936147

IUPAC2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCC(CC1CC1C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2O2/c1-7(4-8-5-11(8)13(16)17)10-6-9(14)2-3-12(10)15/h2-3,6-8,11H,4-5H2,1H3,(H,16,17)
InChIKeyCYKSVRQUECWPIS-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.18
Rot. Bonds4

About 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid

2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid (PubChem CID 83936147) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
PubChem CID83936147
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCC(CC1CC1C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2O2/c1-7(4-8-5-11(8)13(16)17)10-6-9(14)2-3-12(10)15/h2-3,6-8,11H,4-5H2,1H3,(H,16,17)
InChIKeyCYKSVRQUECWPIS-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83944113
2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83922808
2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 102568503
cis-(1S,3R)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 129466151
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83941287
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83928800
2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 83934845
2-[(2,4-difluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221405
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
2-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid (CID 83936147) is 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid is CC(CC1CC1C(=O)O)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid?
The InChIKey is CYKSVRQUECWPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-7(4-8-5-11(8)13(16)17)10-6-9(14)2-3-12(10)15/h2-3,6-8,11H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid?
2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid has a molecular weight of 240.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83936147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).