(Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene

C4H3BrF4 — CID 44717710

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

About (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene

(Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene (PubChem CID 44717710) has the molecular formula C4H3BrF4 and a molecular weight of 206.96 g/mol. Its IUPAC name is (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene.

Molecular Properties

Compound Name(Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene
PubChem CID44717710
Molecular FormulaC4H3BrF4
Molecular Weight206.96 g/mol
Exact Mass205.94
IUPAC Name(Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene
SMILESF/C(=C\C(F)(F)F)CBr
InChIInChI=1S/C4H3BrF4/c5-2-3(6)1-4(7,8)9/h1H,2H2/b3-1-
InChIKeyTXJJRDSVRUTQFT-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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Related Compounds

2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene
CID 5366001
1,1,1-Trifluoro-4-bromo-2-butene
CID 11052411
4-Bromo-1,1,1-trifluorobut-2-ene
CID 53640107
4-Bromo-1,1,2-trifluorobut-2-ene
CID 57208025
(Z)-1,4-Dibromo-1,1,2-trifluoro-2-butene
CID 15099083
C4HBrF6
CID 30192
2-Butene, 4-bromo-1,1,1-trifluoro-2-(trifluoromethyl)-
CID 11322834
(Z)-4-bromo-1,1,1,2-tetrafluorobut-2-ene
CID 14043456
(E)-2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene
CID 14151138
4-Bromo-1,1,1,2-tetrafluorobut-2-ene
CID 21731866
4-Bromo-1,1,1,3-tetrafluoro-but-2-ene
CID 53395690
4-Bromo-1,1-difluorobut-2-ene
CID 57322582

Frequently Asked Questions

What is the IUPAC name of (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
The IUPAC name of (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene (CID 44717710) is (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene.
What is the SMILES notation for (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
The canonical SMILES for (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene is F/C(=C\C(F)(F)F)CBr.
What is the InChIKey of (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
The InChIKey is TXJJRDSVRUTQFT-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H3BrF4/c5-2-3(6)1-4(7,8)9/h1H,2H2/b3-1-.
What are the key properties of (Z)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
(Z)-4-bromo-1,1,1,3-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-1,1,1,3-tetrafluorobut-2-ene is sourced from PubChem (CID 44717710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).