3-fluoro-3,7-dimethylocta-1,6-diene

C10H17F — CID 14382157

IUPAC3-fluoro-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(F)CCC=C(C)C
InChIInChI=1S/C10H17F/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3
InChIKeyFCVNMMHXAZKIHF-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.65
Rot. Bonds4

About 3-fluoro-3,7-dimethylocta-1,6-diene

3-fluoro-3,7-dimethylocta-1,6-diene (PubChem CID 14382157) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 3-fluoro-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name3-fluoro-3,7-dimethylocta-1,6-diene
PubChem CID14382157
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name3-fluoro-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(F)CCC=C(C)C
InChIInChI=1S/C10H17F/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3
InChIKeyFCVNMMHXAZKIHF-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dihydromyrcene
CID 17090
Dihydromyrcene, (+)-
CID 10887985
7-Methyl-1,6-octadiene
CID 557579
Dihydromyrcene, (-)-
CID 10997105
2-Isopropyl-1,4-hexadiene
CID 6429324
5,7-Dimethylocta-1,6-diene
CID 280943
4-Methyl-2-heptene
CID 5352648
2,6-Dimethyl-2-heptene
CID 521663
7-Methyl-3-octene
CID 5362771
2-Hexene, 3,5-dimethyl-
CID 5362848
6-Methyl-2-heptene
CID 5364870
Isocitronellene
CID 10964588

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,7-dimethylocta-1,6-diene?
The IUPAC name of 3-fluoro-3,7-dimethylocta-1,6-diene (CID 14382157) is 3-fluoro-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 3-fluoro-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 3-fluoro-3,7-dimethylocta-1,6-diene is C=CC(C)(F)CCC=C(C)C.
What is the InChIKey of 3-fluoro-3,7-dimethylocta-1,6-diene?
The InChIKey is FCVNMMHXAZKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3.
What are the key properties of 3-fluoro-3,7-dimethylocta-1,6-diene?
3-fluoro-3,7-dimethylocta-1,6-diene has a molecular weight of 156.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 14382157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).