2,3,3-tribromoprop-2-enoic acid

C3HBr3O2 — CID 14227575

IUPAC2,3,3-tribromoprop-2-enoic acid
SMILESO=C(O)C(Br)=C(Br)Br
InChIInChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
InChIKeyUKFXMSBXHCEXIK-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.42
Rot. Bonds1

About 2,3,3-tribromoprop-2-enoic acid

2,3,3-tribromoprop-2-enoic acid (PubChem CID 14227575) has the molecular formula C3HBr3O2 and a molecular weight of 308.75 g/mol. Its IUPAC name is 2,3,3-tribromoprop-2-enoic acid.

Molecular Properties

Compound Name2,3,3-tribromoprop-2-enoic acid
PubChem CID14227575
Molecular FormulaC3HBr3O2
Molecular Weight308.75 g/mol
Exact Mass305.75
IUPAC Name2,3,3-tribromoprop-2-enoic acid
SMILESO=C(O)C(Br)=C(Br)Br
InChIInChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
InChIKeyUKFXMSBXHCEXIK-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4,4,4-trifluoro-3-methylbut-2-enoic acid
CID 53395634
3,3-dibromo-2-(tribromomethyl)prop-2-enoic acid
CID 87356203
barium(2+);carbonobromidic acid;hydride
CID 174557761
2,3-dihydroxybut-2-enedioic acid;dihydrate
CID 57347970
acetylene;carbonobromidic acid
CID 160881436
carbamic acid;carbonyl dibromide
CID 161235420
oxalic acid;trihydrochloride
CID 140553783
magnesium oxalic acid
CID 54611841
californium;oxalic acid
CID 87427078
oxalic acid;hydrochloride
CID 173369286
oxalic acid;thorium
CID 25199595
europium;oxalic acid
CID 90472147

Frequently Asked Questions

What is the IUPAC name of 2,3,3-tribromoprop-2-enoic acid?
The IUPAC name of 2,3,3-tribromoprop-2-enoic acid (CID 14227575) is 2,3,3-tribromoprop-2-enoic acid.
What is the SMILES notation for 2,3,3-tribromoprop-2-enoic acid?
The canonical SMILES for 2,3,3-tribromoprop-2-enoic acid is O=C(O)C(Br)=C(Br)Br.
What is the InChIKey of 2,3,3-tribromoprop-2-enoic acid?
The InChIKey is UKFXMSBXHCEXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8).
What are the key properties of 2,3,3-tribromoprop-2-enoic acid?
2,3,3-tribromoprop-2-enoic acid has a molecular weight of 308.75 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-tribromoprop-2-enoic acid is sourced from PubChem (CID 14227575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).