(E)-1,2-dibromo-3,3-difluoroprop-1-ene

C3H2Br2F2 — CID 88842356

IUPAC(E)-1,2-dibromo-3,3-difluoroprop-1-ene
SMILESFC(F)/C(Br)=C\Br
InChIInChI=1S/C3H2Br2F2/c4-1-2(5)3(6)7/h1,3H/b2-1+
InChIKeyALXALIGRPNYWQV-OWOJBTEDSA-N
MW235.85 g/mol
LogP2.88
Rot. Bonds1

About (E)-1,2-dibromo-3,3-difluoroprop-1-ene

(E)-1,2-dibromo-3,3-difluoroprop-1-ene (PubChem CID 88842356) has the molecular formula C3H2Br2F2 and a molecular weight of 235.85 g/mol. Its IUPAC name is (E)-1,2-dibromo-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name(E)-1,2-dibromo-3,3-difluoroprop-1-ene
PubChem CID88842356
Molecular FormulaC3H2Br2F2
Molecular Weight235.85 g/mol
Exact Mass233.85
IUPAC Name(E)-1,2-dibromo-3,3-difluoroprop-1-ene
SMILESFC(F)/C(Br)=C\Br
InChIInChI=1S/C3H2Br2F2/c4-1-2(5)3(6)7/h1,3H/b2-1+
InChIKeyALXALIGRPNYWQV-OWOJBTEDSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.85
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dibromo-3,3-difluoroprop-1-ene?
The IUPAC name of (E)-1,2-dibromo-3,3-difluoroprop-1-ene (CID 88842356) is (E)-1,2-dibromo-3,3-difluoroprop-1-ene.
What is the SMILES notation for (E)-1,2-dibromo-3,3-difluoroprop-1-ene?
The canonical SMILES for (E)-1,2-dibromo-3,3-difluoroprop-1-ene is FC(F)/C(Br)=C\Br.
What is the InChIKey of (E)-1,2-dibromo-3,3-difluoroprop-1-ene?
The InChIKey is ALXALIGRPNYWQV-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H2Br2F2/c4-1-2(5)3(6)7/h1,3H/b2-1+.
What are the key properties of (E)-1,2-dibromo-3,3-difluoroprop-1-ene?
(E)-1,2-dibromo-3,3-difluoroprop-1-ene has a molecular weight of 235.85 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dibromo-3,3-difluoroprop-1-ene is sourced from PubChem (CID 88842356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).