1,1-difluoro-2-methylbut-1-ene

C5H8F2 — CID 10975428

IUPAC1,1-difluoro-2-methylbut-1-ene
SMILESCCC(C)=C(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(6)7/h3H2,1-2H3
InChIKeyGQYQURRREVVBTL-UHFFFAOYSA-N
MW106.11 g/mol
LogP2.57
Rot. Bonds1

About 1,1-difluoro-2-methylbut-1-ene

1,1-difluoro-2-methylbut-1-ene (PubChem CID 10975428) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is 1,1-difluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2-methylbut-1-ene
PubChem CID10975428
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name1,1-difluoro-2-methylbut-1-ene
SMILESCCC(C)=C(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(6)7/h3H2,1-2H3
InChIKeyGQYQURRREVVBTL-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylbut-1-ene?
The IUPAC name of 1,1-difluoro-2-methylbut-1-ene (CID 10975428) is 1,1-difluoro-2-methylbut-1-ene.
What is the SMILES notation for 1,1-difluoro-2-methylbut-1-ene?
The canonical SMILES for 1,1-difluoro-2-methylbut-1-ene is CCC(C)=C(F)F.
What is the InChIKey of 1,1-difluoro-2-methylbut-1-ene?
The InChIKey is GQYQURRREVVBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2/c1-3-4(2)5(6)7/h3H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methylbut-1-ene?
1,1-difluoro-2-methylbut-1-ene has a molecular weight of 106.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylbut-1-ene is sourced from PubChem (CID 10975428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).