1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene

C7H9Br2F3 — CID 58304374

IUPAC1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene
SMILESCC(C)C(C=C(Br)Br)C(F)(F)F
InChIInChI=1S/C7H9Br2F3/c1-4(2)5(3-6(8)9)7(10,11)12/h3-5H,1-2H3
InChIKeyZAZDKNRYABWUNW-UHFFFAOYSA-N
MW309.95 g/mol
LogP4.45
Rot. Bonds2

About 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene

1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene (PubChem CID 58304374) has the molecular formula C7H9Br2F3 and a molecular weight of 309.95 g/mol. Its IUPAC name is 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene
PubChem CID58304374
Molecular FormulaC7H9Br2F3
Molecular Weight309.95 g/mol
Exact Mass307.90
IUPAC Name1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene
SMILESCC(C)C(C=C(Br)Br)C(F)(F)F
InChIInChI=1S/C7H9Br2F3/c1-4(2)5(3-6(8)9)7(10,11)12/h3-5H,1-2H3
InChIKeyZAZDKNRYABWUNW-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene (CID 58304374) is 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene is CC(C)C(C=C(Br)Br)C(F)(F)F.
What is the InChIKey of 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene?
The InChIKey is ZAZDKNRYABWUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2F3/c1-4(2)5(3-6(8)9)7(10,11)12/h3-5H,1-2H3.
What are the key properties of 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene?
1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene has a molecular weight of 309.95 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-4-methyl-3-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 58304374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).