2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid

C12H13FO2 — CID 84780127

IUPAC2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
SMILESCc1ccc(F)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C12H13FO2/c1-8-2-3-9(13)6-10(8)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyJVPJVTKHDBDYKJ-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.64
Rot. Bonds3

About 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid

2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid (PubChem CID 84780127) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
PubChem CID84780127
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
SMILESCc1ccc(F)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C12H13FO2/c1-8-2-3-9(13)6-10(8)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyJVPJVTKHDBDYKJ-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid (CID 84780127) is 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid is Cc1ccc(F)cc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is JVPJVTKHDBDYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8-2-3-9(13)6-10(8)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid?
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 208.23 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 2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84780127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).