7,7-difluoro-4-methylhepta-1,2,4-triene

C8H10F2 — CID 57033913

IUPAC7,7-difluoro-4-methylhepta-1,2,4-triene
SMILESC=C=CC(C)=CCC(F)F
InChIInChI=1S/C8H10F2/c1-3-4-7(2)5-6-8(9)10/h4-5,8H,1,6H2,2H3
InChIKeyLSRMCSDQJDQGOM-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.93
Rot. Bonds3

About 7,7-difluoro-4-methylhepta-1,2,4-triene

7,7-difluoro-4-methylhepta-1,2,4-triene (PubChem CID 57033913) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 7,7-difluoro-4-methylhepta-1,2,4-triene.

Molecular Properties

Compound Name7,7-difluoro-4-methylhepta-1,2,4-triene
PubChem CID57033913
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name7,7-difluoro-4-methylhepta-1,2,4-triene
SMILESC=C=CC(C)=CCC(F)F
InChIInChI=1S/C8H10F2/c1-3-4-7(2)5-6-8(9)10/h4-5,8H,1,6H2,2H3
InChIKeyLSRMCSDQJDQGOM-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-4-methylhepta-1,2,4-triene?
The IUPAC name of 7,7-difluoro-4-methylhepta-1,2,4-triene (CID 57033913) is 7,7-difluoro-4-methylhepta-1,2,4-triene.
What is the SMILES notation for 7,7-difluoro-4-methylhepta-1,2,4-triene?
The canonical SMILES for 7,7-difluoro-4-methylhepta-1,2,4-triene is C=C=CC(C)=CCC(F)F.
What is the InChIKey of 7,7-difluoro-4-methylhepta-1,2,4-triene?
The InChIKey is LSRMCSDQJDQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-3-4-7(2)5-6-8(9)10/h4-5,8H,1,6H2,2H3.
What are the key properties of 7,7-difluoro-4-methylhepta-1,2,4-triene?
7,7-difluoro-4-methylhepta-1,2,4-triene has a molecular weight of 144.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-4-methylhepta-1,2,4-triene is sourced from PubChem (CID 57033913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).