3-bromo-1,1-difluoropropa-1,2-diene

C3HBrF2 — CID 174189391

IUPAC3-bromo-1,1-difluoropropa-1,2-diene
SMILESFC(F)=C=CBr
InChIInChI=1S/C3HBrF2/c4-2-1-3(5)6/h2H
InChIKeyXGVCVEREHYVNGH-UHFFFAOYSA-N
MW154.94 g/mol
LogP2.27
Rot. Bonds

About 3-bromo-1,1-difluoropropa-1,2-diene

3-bromo-1,1-difluoropropa-1,2-diene (PubChem CID 174189391) has the molecular formula C3HBrF2 and a molecular weight of 154.94 g/mol. Its IUPAC name is 3-bromo-1,1-difluoropropa-1,2-diene.

Molecular Properties

Compound Name3-bromo-1,1-difluoropropa-1,2-diene
PubChem CID174189391
Molecular FormulaC3HBrF2
Molecular Weight154.94 g/mol
Exact Mass153.92
IUPAC Name3-bromo-1,1-difluoropropa-1,2-diene
SMILESFC(F)=C=CBr
InChIInChI=1S/C3HBrF2/c4-2-1-3(5)6/h2H
InChIKeyXGVCVEREHYVNGH-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.94
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1-difluoropropa-1,2-diene?
The IUPAC name of 3-bromo-1,1-difluoropropa-1,2-diene (CID 174189391) is 3-bromo-1,1-difluoropropa-1,2-diene.
What is the SMILES notation for 3-bromo-1,1-difluoropropa-1,2-diene?
The canonical SMILES for 3-bromo-1,1-difluoropropa-1,2-diene is FC(F)=C=CBr.
What is the InChIKey of 3-bromo-1,1-difluoropropa-1,2-diene?
The InChIKey is XGVCVEREHYVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrF2/c4-2-1-3(5)6/h2H.
What are the key properties of 3-bromo-1,1-difluoropropa-1,2-diene?
3-bromo-1,1-difluoropropa-1,2-diene has a molecular weight of 154.94 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1-difluoropropa-1,2-diene is sourced from PubChem (CID 174189391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).