2,3-dibromo-3,3-difluoropropanoic acid

C3H2Br2F2O2 — CID 14367478

IUPAC2,3-dibromo-3,3-difluoropropanoic acid
SMILESO=C(O)C(Br)C(F)(F)Br
InChIInChI=1S/C3H2Br2F2O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKeyGKMUCQGLQGPWDW-UHFFFAOYSA-N
MW267.85 g/mol
LogP1.82
Rot. Bonds2

About 2,3-dibromo-3,3-difluoropropanoic acid

2,3-dibromo-3,3-difluoropropanoic acid (PubChem CID 14367478) has the molecular formula C3H2Br2F2O2 and a molecular weight of 267.85 g/mol. Its IUPAC name is 2,3-dibromo-3,3-difluoropropanoic acid.

Molecular Properties

Compound Name2,3-dibromo-3,3-difluoropropanoic acid
PubChem CID14367478
Molecular FormulaC3H2Br2F2O2
Molecular Weight267.85 g/mol
Exact Mass265.84
IUPAC Name2,3-dibromo-3,3-difluoropropanoic acid
SMILESO=C(O)C(Br)C(F)(F)Br
InChIInChI=1S/C3H2Br2F2O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKeyGKMUCQGLQGPWDW-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.85
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2,3,3-trifluoropropanoic acid
CID 139796309
(2S)-2-bromo-4,4,4-trifluoro-3-oxobutanoic acid
CID 98469172
2,4-dibromo-1,1,1,5,5,5-hexafluoropentan-3-one
CID 151490866
2,4-dibromo-2-chloro-3,3-dimethylpentanedioic acid
CID 57162735
2,3-dibromo-2,3-difluorobutanedioic acid
CID 87865414
CID 131862435
CID 131862435
2,2-dibromoacetic acid;silver
CID 138115790
(2R,3R)-2,3-dibromobutanedioic acid
CID 3246557
1,1,3-tribromo-1,3,3-trifluoropropan-2-one
CID 22245228
3-bromo-4,4,4-trifluoro-1-phenylbutane-1,2-dione
CID 19861152
bromo(trifluoro)methane;2-oxopropanoic acid
CID 174527725
(2S)-2-bromo-3-fluoropropanoic acid
CID 38988783

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-3,3-difluoropropanoic acid?
The IUPAC name of 2,3-dibromo-3,3-difluoropropanoic acid (CID 14367478) is 2,3-dibromo-3,3-difluoropropanoic acid.
What is the SMILES notation for 2,3-dibromo-3,3-difluoropropanoic acid?
The canonical SMILES for 2,3-dibromo-3,3-difluoropropanoic acid is O=C(O)C(Br)C(F)(F)Br.
What is the InChIKey of 2,3-dibromo-3,3-difluoropropanoic acid?
The InChIKey is GKMUCQGLQGPWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Br2F2O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9).
What are the key properties of 2,3-dibromo-3,3-difluoropropanoic acid?
2,3-dibromo-3,3-difluoropropanoic acid has a molecular weight of 267.85 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3,3-difluoropropanoic acid is sourced from PubChem (CID 14367478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).