(Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene

C4H3Br2F3 — CID 15099083

IUPAC(Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene
SMILESF/C(=C\CBr)C(F)(F)Br
InChIInChI=1S/C4H3Br2F3/c5-2-1-3(7)4(6,8)9/h1H,2H2/b3-1-
InChIKeyVHSKOJYDDTXSAC-IWQZZHSRSA-N
MW267.87 g/mol
LogP3.22
Rot. Bonds2

About (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene

(Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene (PubChem CID 15099083) has the molecular formula C4H3Br2F3 and a molecular weight of 267.87 g/mol. Its IUPAC name is (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene.

Molecular Properties

Compound Name(Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene
PubChem CID15099083
Molecular FormulaC4H3Br2F3
Molecular Weight267.87 g/mol
Exact Mass265.86
IUPAC Name(Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene
SMILESF/C(=C\CBr)C(F)(F)Br
InChIInChI=1S/C4H3Br2F3/c5-2-1-3(7)4(6,8)9/h1H,2H2/b3-1-
InChIKeyVHSKOJYDDTXSAC-IWQZZHSRSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.87
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-1,1-difluoropropene
CID 2782752
4-Bromo-1,1,2-trifluorobut-2-ene
CID 57208025
(E)-1,4-dibromo-1,1,4,4-tetrafluorobut-2-ene
CID 49850543
1,2-Dibromo-1,1,4,4,4-pentafluorobut-2-ene
CID 52991882
1,1,3-Tribromo-3,3-difluoroprop-1-ene
CID 10881578
1,3-Dibromo-2,3,3-trifluoroprop-1-ene
CID 91726370
(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene
CID 14043456
1,1-Dibromo-3,3,3-trifluoro-1-propene
CID 15655262
4-Bromo-1,1,1,2-tetrafluorobut-2-ene
CID 21731866
(Z)-4-Bromo-1,1,1,3-tetrafluorobut-2-ene
CID 44717710
4-Bromo-1,1,1,3-tetrafluoro-but-2-ene
CID 53395690
4-Bromo-4,4-difluorobuta-1,2-diene
CID 57065721

Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene?
The IUPAC name of (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene (CID 15099083) is (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene.
What is the SMILES notation for (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene?
The canonical SMILES for (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene is F/C(=C\CBr)C(F)(F)Br.
What is the InChIKey of (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene?
The InChIKey is VHSKOJYDDTXSAC-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H3Br2F3/c5-2-1-3(7)4(6,8)9/h1H,2H2/b3-1-.
What are the key properties of (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene?
(Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene has a molecular weight of 267.87 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-dibromo-1,1,2-trifluorobut-2-ene is sourced from PubChem (CID 15099083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).