3,3-difluoro-2-methylpenta-1,4-diene

C6H8F2 — CID 119098121

IUPAC3,3-difluoro-2-methylpenta-1,4-diene
SMILESC=CC(F)(F)C(=C)C
InChIInChI=1S/C6H8F2/c1-4-6(7,8)5(2)3/h4H,1-2H2,3H3
InChIKeyQSZTWHQLJMQDRG-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.38
Rot. Bonds2

About 3,3-difluoro-2-methylpenta-1,4-diene

3,3-difluoro-2-methylpenta-1,4-diene (PubChem CID 119098121) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 3,3-difluoro-2-methylpenta-1,4-diene.

Molecular Properties

Compound Name3,3-difluoro-2-methylpenta-1,4-diene
PubChem CID119098121
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name3,3-difluoro-2-methylpenta-1,4-diene
SMILESC=CC(F)(F)C(=C)C
InChIInChI=1S/C6H8F2/c1-4-6(7,8)5(2)3/h4H,1-2H2,3H3
InChIKeyQSZTWHQLJMQDRG-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.38
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 3,3-difluoro-2-methylpenta-1,4-diene?
The IUPAC name of 3,3-difluoro-2-methylpenta-1,4-diene (CID 119098121) is 3,3-difluoro-2-methylpenta-1,4-diene.
What is the SMILES notation for 3,3-difluoro-2-methylpenta-1,4-diene?
The canonical SMILES for 3,3-difluoro-2-methylpenta-1,4-diene is C=CC(F)(F)C(=C)C.
What is the InChIKey of 3,3-difluoro-2-methylpenta-1,4-diene?
The InChIKey is QSZTWHQLJMQDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-4-6(7,8)5(2)3/h4H,1-2H2,3H3.
What are the key properties of 3,3-difluoro-2-methylpenta-1,4-diene?
3,3-difluoro-2-methylpenta-1,4-diene has a molecular weight of 118.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylpenta-1,4-diene is sourced from PubChem (CID 119098121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).