3,3-difluoro-5-methylhex-1-ene

C7H12F2 — CID 20782669

IUPAC3,3-difluoro-5-methylhex-1-ene
SMILESC=CC(F)(F)CC(C)C
InChIInChI=1S/C7H12F2/c1-4-7(8,9)5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKeyMCEYRDZRBWGGGA-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.85
Rot. Bonds3

About 3,3-difluoro-5-methylhex-1-ene

3,3-difluoro-5-methylhex-1-ene (PubChem CID 20782669) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 3,3-difluoro-5-methylhex-1-ene.

Molecular Properties

Compound Name3,3-difluoro-5-methylhex-1-ene
PubChem CID20782669
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name3,3-difluoro-5-methylhex-1-ene
SMILESC=CC(F)(F)CC(C)C
InChIInChI=1S/C7H12F2/c1-4-7(8,9)5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKeyMCEYRDZRBWGGGA-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methylhex-1-ene?
The IUPAC name of 3,3-difluoro-5-methylhex-1-ene (CID 20782669) is 3,3-difluoro-5-methylhex-1-ene.
What is the SMILES notation for 3,3-difluoro-5-methylhex-1-ene?
The canonical SMILES for 3,3-difluoro-5-methylhex-1-ene is C=CC(F)(F)CC(C)C.
What is the InChIKey of 3,3-difluoro-5-methylhex-1-ene?
The InChIKey is MCEYRDZRBWGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-4-7(8,9)5-6(2)3/h4,6H,1,5H2,2-3H3.
What are the key properties of 3,3-difluoro-5-methylhex-1-ene?
3,3-difluoro-5-methylhex-1-ene has a molecular weight of 134.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methylhex-1-ene is sourced from PubChem (CID 20782669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).