(Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene

C3HBr2F3 — CID 91726370

IUPAC(Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene
SMILESF/C(=C\Br)C(F)(F)Br
InChIInChI=1S/C3HBr2F3/c4-1-2(6)3(5,7)8/h1H/b2-1-
InChIKeySIFTZTFATMYVPT-UPHRSURJSA-N
MW253.84 g/mol
LogP3.18
Rot. Bonds1

About (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene

(Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene (PubChem CID 91726370) has the molecular formula C3HBr2F3 and a molecular weight of 253.84 g/mol. Its IUPAC name is (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name(Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene
PubChem CID91726370
Molecular FormulaC3HBr2F3
Molecular Weight253.84 g/mol
Exact Mass251.84
IUPAC Name(Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene
SMILESF/C(=C\Br)C(F)(F)Br
InChIInChI=1S/C3HBr2F3/c4-1-2(6)3(5,7)8/h1H/b2-1-
InChIKeySIFTZTFATMYVPT-UPHRSURJSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.84
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene?
The IUPAC name of (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene (CID 91726370) is (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene.
What is the SMILES notation for (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene?
The canonical SMILES for (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene is F/C(=C\Br)C(F)(F)Br.
What is the InChIKey of (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene?
The InChIKey is SIFTZTFATMYVPT-UPHRSURJSA-N. The full InChI is InChI=1S/C3HBr2F3/c4-1-2(6)3(5,7)8/h1H/b2-1-.
What are the key properties of (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene?
(Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene has a molecular weight of 253.84 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-dibromo-2,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 91726370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).