2-(2-fluorophenyl)butanedioic acid

C10H9FO4 — CID 50990542

IUPAC2-(2-fluorophenyl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H9FO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15)
InChIKeyKPKJCNYCVCNXTN-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-fluorophenyl)butanedioic acid

2-(2-fluorophenyl)butanedioic acid (PubChem CID 50990542) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-(2-fluorophenyl)butanedioic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)butanedioic acid
PubChem CID50990542
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name2-(2-fluorophenyl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H9FO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15)
InChIKeyKPKJCNYCVCNXTN-UHFFFAOYSA-N
XLogP1.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
2-(5-chloro-2-fluorophenyl)butanedioic acid
CID 165450975
2-(2-carboxyphenyl)butanedioic acid
CID 121217336
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
2-(2-fluoro-4-methylphenyl)butanedioic acid
CID 165450976
3-(2-fluorophenyl)-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 112516249
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
(E)-5-chloro-2-(2-fluorophenyl)pent-4-enoic acid
CID 107900909
2-(2-fluorophenyl)heptanoic acid
CID 79439623

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)butanedioic acid?
The IUPAC name of 2-(2-fluorophenyl)butanedioic acid (CID 50990542) is 2-(2-fluorophenyl)butanedioic acid.
What is the SMILES notation for 2-(2-fluorophenyl)butanedioic acid?
The canonical SMILES for 2-(2-fluorophenyl)butanedioic acid is O=C(O)CC(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)butanedioic acid?
The InChIKey is KPKJCNYCVCNXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2-fluorophenyl)butanedioic acid?
2-(2-fluorophenyl)butanedioic acid has a molecular weight of 212.18 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)butanedioic acid is sourced from PubChem (CID 50990542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).