(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene

C20H36F4 — CID 158855083

IUPAC(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene
SMILESCC(C)/C=C/CC(F)(F)C(C)C.CC(C)C/C=C/C(F)(F)C(C)C
InChIInChI=1S/2C10H18F2/c2*1-8(2)6-5-7-10(11,12)9(3)4/h5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3/b7-5+;6-5+
InChIKeyIZYGCQXXOADOKK-JOLBPDFCSA-N
MW352.50 g/mol
LogP7.76
Rot. Bonds8

About (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene

(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene (PubChem CID 158855083) has the molecular formula C20H36F4 and a molecular weight of 352.50 g/mol. Its IUPAC name is (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene.

Molecular Properties

Compound Name(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene
PubChem CID158855083
Molecular FormulaC20H36F4
Molecular Weight352.50 g/mol
Exact Mass352.28
IUPAC Name(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene
SMILESCC(C)/C=C/CC(F)(F)C(C)C.CC(C)C/C=C/C(F)(F)C(C)C
InChIInChI=1S/2C10H18F2/c2*1-8(2)6-5-7-10(11,12)9(3)4/h5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3/b7-5+;6-5+
InChIKeyIZYGCQXXOADOKK-JOLBPDFCSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 57.76
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 (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene?
The IUPAC name of (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene (CID 158855083) is (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene.
What is the SMILES notation for (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene?
The canonical SMILES for (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene is CC(C)/C=C/CC(F)(F)C(C)C.CC(C)C/C=C/C(F)(F)C(C)C.
What is the InChIKey of (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene?
The InChIKey is IZYGCQXXOADOKK-JOLBPDFCSA-N. The full InChI is InChI=1S/2C10H18F2/c2*1-8(2)6-5-7-10(11,12)9(3)4/h5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3/b7-5+;6-5+.
What are the key properties of (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene?
(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene has a molecular weight of 352.50 g/mol, XLogP of 7.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene is sourced from PubChem (CID 158855083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).