1,1-difluoro-4-methylpenta-1,3-diene

C6H8F2 — CID 22239159

IUPAC1,1-difluoro-4-methylpenta-1,3-diene
SMILESCC(C)=CC=C(F)F
InChIInChI=1S/C6H8F2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3
InChIKeyBWIANEBBDZPLIU-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.73
Rot. Bonds1

About 1,1-difluoro-4-methylpenta-1,3-diene

1,1-difluoro-4-methylpenta-1,3-diene (PubChem CID 22239159) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1,1-difluoro-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name1,1-difluoro-4-methylpenta-1,3-diene
PubChem CID22239159
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1,1-difluoro-4-methylpenta-1,3-diene
SMILESCC(C)=CC=C(F)F
InChIInChI=1S/C6H8F2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3
InChIKeyBWIANEBBDZPLIU-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.73
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 1,1-difluoro-4-methylpenta-1,3-diene?
The IUPAC name of 1,1-difluoro-4-methylpenta-1,3-diene (CID 22239159) is 1,1-difluoro-4-methylpenta-1,3-diene.
What is the SMILES notation for 1,1-difluoro-4-methylpenta-1,3-diene?
The canonical SMILES for 1,1-difluoro-4-methylpenta-1,3-diene is CC(C)=CC=C(F)F.
What is the InChIKey of 1,1-difluoro-4-methylpenta-1,3-diene?
The InChIKey is BWIANEBBDZPLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3.
What are the key properties of 1,1-difluoro-4-methylpenta-1,3-diene?
1,1-difluoro-4-methylpenta-1,3-diene has a molecular weight of 118.13 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylpenta-1,3-diene is sourced from PubChem (CID 22239159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).