4,4-difluoro-3-methylbut-1-ene

C5H8F2 — CID 14092767

IUPAC4,4-difluoro-3-methylbut-1-ene
SMILESC=CC(C)C(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(6)7/h3-5H,1H2,2H3
InChIKeyCQVFWZUBPHVNIP-UHFFFAOYSA-N
MW106.11 g/mol
LogP2.07
Rot. Bonds2

About 4,4-difluoro-3-methylbut-1-ene

4,4-difluoro-3-methylbut-1-ene (PubChem CID 14092767) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is 4,4-difluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name4,4-difluoro-3-methylbut-1-ene
PubChem CID14092767
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name4,4-difluoro-3-methylbut-1-ene
SMILESC=CC(C)C(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(6)7/h3-5H,1H2,2H3
InChIKeyCQVFWZUBPHVNIP-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 52.07
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 4,4-difluoro-3-methylbut-1-ene?
The IUPAC name of 4,4-difluoro-3-methylbut-1-ene (CID 14092767) is 4,4-difluoro-3-methylbut-1-ene.
What is the SMILES notation for 4,4-difluoro-3-methylbut-1-ene?
The canonical SMILES for 4,4-difluoro-3-methylbut-1-ene is C=CC(C)C(F)F.
What is the InChIKey of 4,4-difluoro-3-methylbut-1-ene?
The InChIKey is CQVFWZUBPHVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2/c1-3-4(2)5(6)7/h3-5H,1H2,2H3.
What are the key properties of 4,4-difluoro-3-methylbut-1-ene?
4,4-difluoro-3-methylbut-1-ene has a molecular weight of 106.11 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylbut-1-ene is sourced from PubChem (CID 14092767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).