1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene

C7H11Br2F — CID 58304981

IUPAC1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene
SMILESCC(C)C(C)(F)C=C(Br)Br
InChIInChI=1S/C7H11Br2F/c1-5(2)7(3,10)4-6(8)9/h4-5H,1-3H3
InChIKeyLQAZEIKTTFIOMS-UHFFFAOYSA-N
MW273.97 g/mol
LogP4.00
Rot. Bonds2

About 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene

1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene (PubChem CID 58304981) has the molecular formula C7H11Br2F and a molecular weight of 273.97 g/mol. Its IUPAC name is 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene
PubChem CID58304981
Molecular FormulaC7H11Br2F
Molecular Weight273.97 g/mol
Exact Mass271.92
IUPAC Name1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene
SMILESCC(C)C(C)(F)C=C(Br)Br
InChIInChI=1S/C7H11Br2F/c1-5(2)7(3,10)4-6(8)9/h4-5H,1-3H3
InChIKeyLQAZEIKTTFIOMS-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.97
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-1,1-dibromo-3-methylpent-1-ene
CID 11021058
(3R)-1,1-dibromo-3-methylpent-1-ene
CID 11322440
1,1-Dibromo-4-methylpent-1-ene
CID 14571172
1,1-Dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene
CID 58304374
(E)-1-bromo-3-fluoro-3,4-dimethylpent-1-ene
CID 156283053
(4R)-1-bromo-1-fluoro-4-methylhex-1-ene
CID 171049038
1,1-Dibromo-3,4-dimethylpent-1-ene
CID 20662766
(3S)-1,1-dibromo-3,4-dimethylpent-1-ene
CID 59466678
1,1-Dibromo-3-methylpent-1-ene
CID 13115244

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene?
The IUPAC name of 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene (CID 58304981) is 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene.
What is the SMILES notation for 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene?
The canonical SMILES for 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene is CC(C)C(C)(F)C=C(Br)Br.
What is the InChIKey of 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene?
The InChIKey is LQAZEIKTTFIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br2F/c1-5(2)7(3,10)4-6(8)9/h4-5H,1-3H3.
What are the key properties of 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene?
1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene has a molecular weight of 273.97 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene is sourced from PubChem (CID 58304981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).