2-bromo-1-fluoroethenol

C2H2BrFO — CID 173340388

IUPAC2-bromo-1-fluoroethenol
SMILESOC(F)=CBr
InChIInChI=1S/C2H2BrFO/c3-1-2(4)5/h1,5H
InChIKeyKDNUMNHABIHPKT-UHFFFAOYSA-N
MW140.94 g/mol
LogP1.71
Rot. Bonds

About 2-bromo-1-fluoroethenol

2-bromo-1-fluoroethenol (PubChem CID 173340388) has the molecular formula C2H2BrFO and a molecular weight of 140.94 g/mol. Its IUPAC name is 2-bromo-1-fluoroethenol.

Molecular Properties

Compound Name2-bromo-1-fluoroethenol
PubChem CID173340388
Molecular FormulaC2H2BrFO
Molecular Weight140.94 g/mol
Exact Mass139.93
IUPAC Name2-bromo-1-fluoroethenol
SMILESOC(F)=CBr
InChIInChI=1S/C2H2BrFO/c3-1-2(4)5/h1,5H
InChIKeyKDNUMNHABIHPKT-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.94
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 136825399
CID 136825399
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CID 15085720
(E)-4-bromo-3-fluoro-2,2-dimethylbut-3-enoic acid
CID 88603313
1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene
CID 76973307
3-bromo-1,1-difluoropropa-1,2-diene
CID 174189391
3-(bromomethylidene)-2,2,4,4-tetramethylpentane
CID 170849061
(E)-3-bromo-2-methylprop-2-enal
CID 11008075
(E)-1,2-dibromo-3,3,3-trifluoroprop-1-ene
CID 11658898
2-bromo-1,1-dichloroethene;hydrochloride
CID 174707221
1-deuterio-1,2,2-trifluoroethene
CID 102151651
1-fluoro-1-iodoprop-1-ene
CID 175825519
1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoroethenol?
The IUPAC name of 2-bromo-1-fluoroethenol (CID 173340388) is 2-bromo-1-fluoroethenol.
What is the SMILES notation for 2-bromo-1-fluoroethenol?
The canonical SMILES for 2-bromo-1-fluoroethenol is OC(F)=CBr.
What is the InChIKey of 2-bromo-1-fluoroethenol?
The InChIKey is KDNUMNHABIHPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BrFO/c3-1-2(4)5/h1,5H.
What are the key properties of 2-bromo-1-fluoroethenol?
2-bromo-1-fluoroethenol has a molecular weight of 140.94 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoroethenol is sourced from PubChem (CID 173340388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).