2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid

C11H10F2O2 — CID 102568503

IUPAC2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cc1ccc(F)cc1F
InChIInChI=1S/C11H10F2O2/c12-8-2-1-6(10(13)5-8)3-7-4-9(7)11(14)15/h1-2,5,7,9H,3-4H2,(H,14,15)
InChIKeyZRXQSJZQVYCUDU-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.23
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid

2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 102568503) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID102568503
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cc1ccc(F)cc1F
InChIInChI=1S/C11H10F2O2/c12-8-2-1-6(10(13)5-8)3-7-4-9(7)11(14)15/h1-2,5,7,9H,3-4H2,(H,14,15)
InChIKeyZRXQSJZQVYCUDU-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013566
2-[(2,5-difluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020545
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993220
2-[(2,4-difluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221405
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165431
2-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 81021387
2-[(2-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020954
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114862572
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83936147
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
4-[(2,4-difluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235385

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid (CID 102568503) is 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZRXQSJZQVYCUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-8-2-1-6(10(13)5-8)3-7-4-9(7)11(14)15/h1-2,5,7,9H,3-4H2,(H,14,15).
What are the key properties of 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 212.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102568503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).