1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid

C12H12F2O2 — CID 117324946

IUPAC1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESCCc1cc(C2(C(=O)O)CC2)c(F)cc1F
InChIInChI=1S/C12H12F2O2/c1-2-7-5-8(10(14)6-9(7)13)12(3-4-12)11(15)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyJKKGOSZPOSPKNB-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.64
Rot. Bonds3

About 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid

1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 117324946) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID117324946
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESCCc1cc(C2(C(=O)O)CC2)c(F)cc1F
InChIInChI=1S/C12H12F2O2/c1-2-7-5-8(10(14)6-9(7)13)12(3-4-12)11(15)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyJKKGOSZPOSPKNB-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117428758
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
1-(5-bromo-3-ethyl-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117458815
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid (CID 117324946) is 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid is CCc1cc(C2(C(=O)O)CC2)c(F)cc1F.
What is the InChIKey of 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is JKKGOSZPOSPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-2-7-5-8(10(14)6-9(7)13)12(3-4-12)11(15)16/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid?
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 226.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117324946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).