8-fluoro-7,7-dimethyloct-3-ene

C10H19F — CID 174848410

IUPAC8-fluoro-7,7-dimethyloct-3-ene
SMILESCCC=CCCC(C)(C)CF
InChIInChI=1S/C10H19F/c1-4-5-6-7-8-10(2,3)9-11/h5-6H,4,7-9H2,1-3H3
InChIKeyZWWNDGNDUJPKMI-UHFFFAOYSA-N
MW158.26 g/mol
LogP3.73
Rot. Bonds5

About 8-fluoro-7,7-dimethyloct-3-ene

8-fluoro-7,7-dimethyloct-3-ene (PubChem CID 174848410) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is 8-fluoro-7,7-dimethyloct-3-ene.

Molecular Properties

Compound Name8-fluoro-7,7-dimethyloct-3-ene
PubChem CID174848410
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name8-fluoro-7,7-dimethyloct-3-ene
SMILESCCC=CCCC(C)(C)CF
InChIInChI=1S/C10H19F/c1-4-5-6-7-8-10(2,3)9-11/h5-6H,4,7-9H2,1-3H3
InChIKeyZWWNDGNDUJPKMI-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 53.73
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 8-fluoro-7,7-dimethyloct-3-ene?
The IUPAC name of 8-fluoro-7,7-dimethyloct-3-ene (CID 174848410) is 8-fluoro-7,7-dimethyloct-3-ene.
What is the SMILES notation for 8-fluoro-7,7-dimethyloct-3-ene?
The canonical SMILES for 8-fluoro-7,7-dimethyloct-3-ene is CCC=CCCC(C)(C)CF.
What is the InChIKey of 8-fluoro-7,7-dimethyloct-3-ene?
The InChIKey is ZWWNDGNDUJPKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F/c1-4-5-6-7-8-10(2,3)9-11/h5-6H,4,7-9H2,1-3H3.
What are the key properties of 8-fluoro-7,7-dimethyloct-3-ene?
8-fluoro-7,7-dimethyloct-3-ene has a molecular weight of 158.26 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7,7-dimethyloct-3-ene is sourced from PubChem (CID 174848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).