1,1-difluoro-2,5-dimethylhexa-1,5-diene

C8H12F2 — CID 58962872

IUPAC1,1-difluoro-2,5-dimethylhexa-1,5-diene
SMILESC=C(C)CCC(C)=C(F)F
InChIInChI=1S/C8H12F2/c1-6(2)4-5-7(3)8(9)10/h1,4-5H2,2-3H3
InChIKeySOLQLNMLJMLEAB-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.51
Rot. Bonds3

About 1,1-difluoro-2,5-dimethylhexa-1,5-diene

1,1-difluoro-2,5-dimethylhexa-1,5-diene (PubChem CID 58962872) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1,1-difluoro-2,5-dimethylhexa-1,5-diene.

Molecular Properties

Compound Name1,1-difluoro-2,5-dimethylhexa-1,5-diene
PubChem CID58962872
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name1,1-difluoro-2,5-dimethylhexa-1,5-diene
SMILESC=C(C)CCC(C)=C(F)F
InChIInChI=1S/C8H12F2/c1-6(2)4-5-7(3)8(9)10/h1,4-5H2,2-3H3
InChIKeySOLQLNMLJMLEAB-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.51
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

1,1-Difluoro-4-methylidenecyclohexane
CID 57493857
2-Methyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-undecene
CID 12045643
1-(Difluoromethylidene)-4-methylidenecyclohexane
CID 12965534
1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
2-(Trifluoromethyl)dodec-1-ene
CID 135085774
1,1,1-Trifluoro-5-methylenenonane
CID 146018294
1,1,1-Trifluoro-4-methyleneoctane
CID 146018304
1,1,1-Trifluoro-6-methylenedecane
CID 146018318
(E)-1-iodo-2-(trifluoromethyl)hex-1-ene
CID 10516695
2-(Trifluoromethyl)dec-1-ene
CID 14295680
1,1,3,3-Tetrafluoro-2-(trifluoromethyl)hept-1-ene
CID 23264460
1,1-Difluoro-2-methylhex-1-ene
CID 11542791

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,5-dimethylhexa-1,5-diene?
The IUPAC name of 1,1-difluoro-2,5-dimethylhexa-1,5-diene (CID 58962872) is 1,1-difluoro-2,5-dimethylhexa-1,5-diene.
What is the SMILES notation for 1,1-difluoro-2,5-dimethylhexa-1,5-diene?
The canonical SMILES for 1,1-difluoro-2,5-dimethylhexa-1,5-diene is C=C(C)CCC(C)=C(F)F.
What is the InChIKey of 1,1-difluoro-2,5-dimethylhexa-1,5-diene?
The InChIKey is SOLQLNMLJMLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-6(2)4-5-7(3)8(9)10/h1,4-5H2,2-3H3.
What are the key properties of 1,1-difluoro-2,5-dimethylhexa-1,5-diene?
1,1-difluoro-2,5-dimethylhexa-1,5-diene has a molecular weight of 146.18 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,5-dimethylhexa-1,5-diene is sourced from PubChem (CID 58962872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).