2,2-difluoropropanedioic acid

C3H2F2O4 — CID 10130002

IUPAC2,2-difluoropropanedioic acid
SMILESO=C(O)C(F)(F)C(=O)O
InChIInChI=1S/C3H2F2O4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)
InChIKeyLIHVFFFGWFBSAT-UHFFFAOYSA-N
MW140.04 g/mol
LogP-0.21
Rot. Bonds2

About 2,2-difluoropropanedioic acid

2,2-difluoropropanedioic acid (PubChem CID 10130002) has the molecular formula C3H2F2O4 and a molecular weight of 140.04 g/mol. Its IUPAC name is 2,2-difluoropropanedioic acid.

Molecular Properties

Compound Name2,2-difluoropropanedioic acid
PubChem CID10130002
Molecular FormulaC3H2F2O4
Molecular Weight140.04 g/mol
Exact Mass139.99
IUPAC Name2,2-difluoropropanedioic acid
SMILESO=C(O)C(F)(F)C(=O)O
InChIInChI=1S/C3H2F2O4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)
InChIKeyLIHVFFFGWFBSAT-UHFFFAOYSA-N
XLogP-0.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.04
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2,3-trifluoro-3-oxopropanoic acid
CID 57488659
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
2,2,3,4-tetrafluorobut-3-enoic acid
CID 23268867
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
CID 159010746
CID 159010746
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropanedioic acid?
The IUPAC name of 2,2-difluoropropanedioic acid (CID 10130002) is 2,2-difluoropropanedioic acid.
What is the SMILES notation for 2,2-difluoropropanedioic acid?
The canonical SMILES for 2,2-difluoropropanedioic acid is O=C(O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoropropanedioic acid?
The InChIKey is LIHVFFFGWFBSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F2O4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9).
What are the key properties of 2,2-difluoropropanedioic acid?
2,2-difluoropropanedioic acid has a molecular weight of 140.04 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropanedioic acid is sourced from PubChem (CID 10130002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).