3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene

C8H13BrF2 — CID 165443013

IUPAC3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene
SMILESC=CC(C)(CBr)CC(C)(F)F
InChIInChI=1S/C8H13BrF2/c1-4-7(2,6-9)5-8(3,10)11/h4H,1,5-6H2,2-3H3
InChIKeyYFZUEDWVDYWVGD-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.62
Rot. Bonds4

About 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene

3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene (PubChem CID 165443013) has the molecular formula C8H13BrF2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene
PubChem CID165443013
Molecular FormulaC8H13BrF2
Molecular Weight227.09 g/mol
Exact Mass226.02
IUPAC Name3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene
SMILESC=CC(C)(CBr)CC(C)(F)F
InChIInChI=1S/C8H13BrF2/c1-4-7(2,6-9)5-8(3,10)11/h4H,1,5-6H2,2-3H3
InChIKeyYFZUEDWVDYWVGD-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene?
The IUPAC name of 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene (CID 165443013) is 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene.
What is the SMILES notation for 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene?
The canonical SMILES for 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene is C=CC(C)(CBr)CC(C)(F)F.
What is the InChIKey of 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene?
The InChIKey is YFZUEDWVDYWVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2/c1-4-7(2,6-9)5-8(3,10)11/h4H,1,5-6H2,2-3H3.
What are the key properties of 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene?
3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene has a molecular weight of 227.09 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5,5-difluoro-3-methylhex-1-ene is sourced from PubChem (CID 165443013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).