1-fluoropropane-1,2,3-tricarboxylic acid

C6H7FO6 — CID 71324460

IUPAC1-fluoropropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(C(=O)O)C(F)C(=O)O
InChIInChI=1S/C6H7FO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyZGZMIYSDQCGBLF-UHFFFAOYSA-N
MW194.11 g/mol
LogP-0.42
Rot. Bonds5

About 1-fluoropropane-1,2,3-tricarboxylic acid

1-fluoropropane-1,2,3-tricarboxylic acid (PubChem CID 71324460) has the molecular formula C6H7FO6 and a molecular weight of 194.11 g/mol. Its IUPAC name is 1-fluoropropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1-fluoropropane-1,2,3-tricarboxylic acid
PubChem CID71324460
Molecular FormulaC6H7FO6
Molecular Weight194.11 g/mol
Exact Mass194.02
IUPAC Name1-fluoropropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(C(=O)O)C(F)C(=O)O
InChIInChI=1S/C6H7FO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyZGZMIYSDQCGBLF-UHFFFAOYSA-N
XLogP-0.42
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-fluoropropane-1,2,3-tricarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
1-phosphanylpropane-1,2,3-tricarboxylic acid
CID 57174577
2-(1,2-dihydroxypropyl)butanedioic acid
CID 123477214
2-(dimethoxymethyl)butanedioic acid
CID 139917524
3,4,4,4-tetrafluorobutanoic acid
CID 83856312
3-methylhexane-1,2,4-tricarboxylic acid
CID 175281734
hexane-1,2,3,6-tetracarboxylic acid
CID 57214817
3-bromo-3-fluoropropanoic acid
CID 10986714
1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid
CID 149436888

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropane-1,2,3-tricarboxylic acid?
The IUPAC name of 1-fluoropropane-1,2,3-tricarboxylic acid (CID 71324460) is 1-fluoropropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1-fluoropropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1-fluoropropane-1,2,3-tricarboxylic acid is O=C(O)CC(C(=O)O)C(F)C(=O)O.
What is the InChIKey of 1-fluoropropane-1,2,3-tricarboxylic acid?
The InChIKey is ZGZMIYSDQCGBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 1-fluoropropane-1,2,3-tricarboxylic acid?
1-fluoropropane-1,2,3-tricarboxylic acid has a molecular weight of 194.11 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 71324460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).