2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid

C12H11FO4 — CID 117348464

IUPAC2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid
SMILESO=C(O)CC1(c2ccc(F)cc2C(=O)O)CC1
InChIInChI=1S/C12H11FO4/c13-7-1-2-9(8(5-7)11(16)17)12(3-4-12)6-10(14)15/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyMHLYTMUWSDGWGV-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid

2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid (PubChem CID 117348464) has the molecular formula C12H11FO4 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid
PubChem CID117348464
Molecular FormulaC12H11FO4
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid
SMILESO=C(O)CC1(c2ccc(F)cc2C(=O)O)CC1
InChIInChI=1S/C12H11FO4/c13-7-1-2-9(8(5-7)11(16)17)12(3-4-12)6-10(14)15/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyMHLYTMUWSDGWGV-UHFFFAOYSA-N
XLogP2.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
5-[1-(carboxymethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117393385
2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
CID 117462835
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117399174
2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid
CID 117337745
2-[1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid
CID 117481526
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237

Frequently Asked Questions

What is the IUPAC name of 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid?
The IUPAC name of 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid (CID 117348464) is 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid?
The canonical SMILES for 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid is O=C(O)CC1(c2ccc(F)cc2C(=O)O)CC1.
What is the InChIKey of 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid?
The InChIKey is MHLYTMUWSDGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO4/c13-7-1-2-9(8(5-7)11(16)17)12(3-4-12)6-10(14)15/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid?
2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid has a molecular weight of 238.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid is sourced from PubChem (CID 117348464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).