(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene

C4H3BrF4 — CID 14043456

IUPAC(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene
SMILESF/C(=C\CBr)C(F)(F)F
InChIInChI=1S/C4H3BrF4/c5-2-1-3(6)4(7,8)9/h1H,2H2/b3-1-
InChIKeyDTJZQRRRBSLUPK-IWQZZHSRSA-N
MW206.96 g/mol
LogP2.80
Rot. Bonds1

About (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene

(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene (PubChem CID 14043456) has the molecular formula C4H3BrF4 and a molecular weight of 206.96 g/mol. Its IUPAC name is (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene.

Molecular Properties

Compound Name(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene
PubChem CID14043456
Molecular FormulaC4H3BrF4
Molecular Weight206.96 g/mol
Exact Mass205.94
IUPAC Name(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene
SMILESF/C(=C\CBr)C(F)(F)F
InChIInChI=1S/C4H3BrF4/c5-2-1-3(6)4(7,8)9/h1H,2H2/b3-1-
InChIKeyDTJZQRRRBSLUPK-IWQZZHSRSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.96
LogP ≤ 52.80
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)-4-bromo-1,1,1,2-tetrafluorobut-2-ene?
The IUPAC name of (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene (CID 14043456) is (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene.
What is the SMILES notation for (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene?
The canonical SMILES for (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene is F/C(=C\CBr)C(F)(F)F.
What is the InChIKey of (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene?
The InChIKey is DTJZQRRRBSLUPK-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H3BrF4/c5-2-1-3(6)4(7,8)9/h1H,2H2/b3-1-.
What are the key properties of (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene?
(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene has a molecular weight of 206.96 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene is sourced from PubChem (CID 14043456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).