3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene

C9H15BrF2 — CID 165442739

IUPAC3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene
SMILESC=CC(C)(CBr)CCCC(F)F
InChIInChI=1S/C9H15BrF2/c1-3-9(2,7-10)6-4-5-8(11)12/h3,8H,1,4-7H2,2H3
InChIKeyRMJPXJUWZGXYLX-UHFFFAOYSA-N
MW241.12 g/mol
LogP4.01
Rot. Bonds6

About 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene

3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene (PubChem CID 165442739) has the molecular formula C9H15BrF2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene
PubChem CID165442739
Molecular FormulaC9H15BrF2
Molecular Weight241.12 g/mol
Exact Mass240.03
IUPAC Name3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene
SMILESC=CC(C)(CBr)CCCC(F)F
InChIInChI=1S/C9H15BrF2/c1-3-9(2,7-10)6-4-5-8(11)12/h3,8H,1,4-7H2,2H3
InChIKeyRMJPXJUWZGXYLX-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 54.01
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)-7,7-difluoro-3-methylhept-1-ene?
The IUPAC name of 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene (CID 165442739) is 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene.
What is the SMILES notation for 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene?
The canonical SMILES for 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene is C=CC(C)(CBr)CCCC(F)F.
What is the InChIKey of 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene?
The InChIKey is RMJPXJUWZGXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF2/c1-3-9(2,7-10)6-4-5-8(11)12/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene?
3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene has a molecular weight of 241.12 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-7,7-difluoro-3-methylhept-1-ene is sourced from PubChem (CID 165442739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).