1,1-difluoro-4,8-dimethylnona-1,7-diene

C11H18F2 — CID 164674098

IUPAC1,1-difluoro-4,8-dimethylnona-1,7-diene
SMILESCC(C)=CCCC(C)CC=C(F)F
InChIInChI=1S/C11H18F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,8,10H,4,6-7H2,1-3H3
InChIKeyHDSHNKVBFGKJCK-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.54
Rot. Bonds5

About 1,1-difluoro-4,8-dimethylnona-1,7-diene

1,1-difluoro-4,8-dimethylnona-1,7-diene (PubChem CID 164674098) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 1,1-difluoro-4,8-dimethylnona-1,7-diene.

Molecular Properties

Compound Name1,1-difluoro-4,8-dimethylnona-1,7-diene
PubChem CID164674098
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name1,1-difluoro-4,8-dimethylnona-1,7-diene
SMILESCC(C)=CCCC(C)CC=C(F)F
InChIInChI=1S/C11H18F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,8,10H,4,6-7H2,1-3H3
InChIKeyHDSHNKVBFGKJCK-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.54
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 1,1-difluoro-4,8-dimethylnona-1,7-diene?
The IUPAC name of 1,1-difluoro-4,8-dimethylnona-1,7-diene (CID 164674098) is 1,1-difluoro-4,8-dimethylnona-1,7-diene.
What is the SMILES notation for 1,1-difluoro-4,8-dimethylnona-1,7-diene?
The canonical SMILES for 1,1-difluoro-4,8-dimethylnona-1,7-diene is CC(C)=CCCC(C)CC=C(F)F.
What is the InChIKey of 1,1-difluoro-4,8-dimethylnona-1,7-diene?
The InChIKey is HDSHNKVBFGKJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,8,10H,4,6-7H2,1-3H3.
What are the key properties of 1,1-difluoro-4,8-dimethylnona-1,7-diene?
1,1-difluoro-4,8-dimethylnona-1,7-diene has a molecular weight of 188.26 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,8-dimethylnona-1,7-diene is sourced from PubChem (CID 164674098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).