1,1-difluoro-3-methylbuta-1,2-diene

C5H6F2 — CID 12769992

IUPAC1,1-difluoro-3-methylbuta-1,2-diene
SMILESCC(C)=C=C(F)F
InChIInChI=1S/C5H6F2/c1-4(2)3-5(6)7/h1-2H3
InChIKeyVIKAWMQEQADYIF-UHFFFAOYSA-N
MW104.10 g/mol
LogP2.33
Rot. Bonds

About 1,1-difluoro-3-methylbuta-1,2-diene

1,1-difluoro-3-methylbuta-1,2-diene (PubChem CID 12769992) has the molecular formula C5H6F2 and a molecular weight of 104.10 g/mol. Its IUPAC name is 1,1-difluoro-3-methylbuta-1,2-diene.

Molecular Properties

Compound Name1,1-difluoro-3-methylbuta-1,2-diene
PubChem CID12769992
Molecular FormulaC5H6F2
Molecular Weight104.10 g/mol
Exact Mass104.04
IUPAC Name1,1-difluoro-3-methylbuta-1,2-diene
SMILESCC(C)=C=C(F)F
InChIInChI=1S/C5H6F2/c1-4(2)3-5(6)7/h1-2H3
InChIKeyVIKAWMQEQADYIF-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methylbuta-1,2-diene?
The IUPAC name of 1,1-difluoro-3-methylbuta-1,2-diene (CID 12769992) is 1,1-difluoro-3-methylbuta-1,2-diene.
What is the SMILES notation for 1,1-difluoro-3-methylbuta-1,2-diene?
The canonical SMILES for 1,1-difluoro-3-methylbuta-1,2-diene is CC(C)=C=C(F)F.
What is the InChIKey of 1,1-difluoro-3-methylbuta-1,2-diene?
The InChIKey is VIKAWMQEQADYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2/c1-4(2)3-5(6)7/h1-2H3.
What are the key properties of 1,1-difluoro-3-methylbuta-1,2-diene?
1,1-difluoro-3-methylbuta-1,2-diene has a molecular weight of 104.10 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylbuta-1,2-diene is sourced from PubChem (CID 12769992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).