1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene

C8H11BrF4 — CID 583662

IUPAC1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene
SMILESCC(C)(C)C=CC(F)(F)C(F)(F)Br
InChIInChI=1S/C8H11BrF4/c1-6(2,3)4-5-7(10,11)8(9,12)13/h4-5H,1-3H3
InChIKeyKAHHEOKZJLOFTF-UHFFFAOYSA-N
MW263.07 g/mol
LogP4.21
Rot. Bonds2

About 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene

1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene (PubChem CID 583662) has the molecular formula C8H11BrF4 and a molecular weight of 263.07 g/mol. Its IUPAC name is 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene.

Molecular Properties

Compound Name1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene
PubChem CID583662
Molecular FormulaC8H11BrF4
Molecular Weight263.07 g/mol
Exact Mass262.00
IUPAC Name1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene
SMILESCC(C)(C)C=CC(F)(F)C(F)(F)Br
InChIInChI=1S/C8H11BrF4/c1-6(2,3)4-5-7(10,11)8(9,12)13/h4-5H,1-3H3
InChIKeyKAHHEOKZJLOFTF-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene
CID 5362812
(E)-2,5,5-trimethylhex-3-en-2-amine
CID 166660813
(E)-2-chloro-2,5,5-trimethylhex-3-ene
CID 118583254
butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162269346
1-bromo-1-chloro-1-fluoroethane
CID 57450899
2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hex-3-ene
CID 76738468
(4E)-3,3,6,6-tetramethylhepta-1,4-diene
CID 142855106
1-bromo-4,4-dimethylpent-2-ene
CID 71373616
(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262
(E)-4,4-dimethylpent-2-ene
CID 159305896

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene?
The IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene (CID 583662) is 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene.
What is the SMILES notation for 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene?
The canonical SMILES for 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene is CC(C)(C)C=CC(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene?
The InChIKey is KAHHEOKZJLOFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrF4/c1-6(2,3)4-5-7(10,11)8(9,12)13/h4-5H,1-3H3.
What are the key properties of 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene?
1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene has a molecular weight of 263.07 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,2,2-tetrafluoro-5,5-dimethylhex-3-ene is sourced from PubChem (CID 583662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).