1,1-difluorobut-1-ene

C4H6F2 — CID 2782310

IUPAC1,1-difluorobut-1-ene
SMILESCCC=C(F)F
InChIInChI=1S/C4H6F2/c1-2-3-4(5)6/h3H,2H2,1H3
InChIKeyCYICOSUAVXTZOD-UHFFFAOYSA-N
MW92.09 g/mol
LogP2.18
Rot. Bonds1

About 1,1-difluorobut-1-ene

1,1-difluorobut-1-ene (PubChem CID 2782310) has the molecular formula C4H6F2 and a molecular weight of 92.09 g/mol. Its IUPAC name is 1,1-difluorobut-1-ene.

Molecular Properties

Compound Name1,1-difluorobut-1-ene
PubChem CID2782310
Molecular FormulaC4H6F2
Molecular Weight92.09 g/mol
Exact Mass92.04
IUPAC Name1,1-difluorobut-1-ene
SMILESCCC=C(F)F
InChIInChI=1S/C4H6F2/c1-2-3-4(5)6/h3H,2H2,1H3
InChIKeyCYICOSUAVXTZOD-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,4-Trifluoro-1-butene
CID 10887850
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3,3,4,4-Tetrafluoro-1-butene
CID 555149
3,3-Difluorobut-1-ene
CID 14123435
1,1,2-Trifluorobut-1-ene
CID 2777074
1,1,6,6-Tetrafluoro-1,5-hexadiene
CID 12965533
1,1-Difluoropent-1-ene
CID 13087753
3,3-Difluoro-1,4-pentadiene
CID 13759164
1,1,1-Trifluoropenta-2,3-diene
CID 56991262
1,1-Difluoro-3-ethylallene
CID 57662812
5,5,6,6,7,7,7-Heptafluorohepta-2,3-diene
CID 139264104
1,1-Difluoro-3,3-dimethyl-but-1-ene
CID 11542776

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobut-1-ene?
The IUPAC name of 1,1-difluorobut-1-ene (CID 2782310) is 1,1-difluorobut-1-ene.
What is the SMILES notation for 1,1-difluorobut-1-ene?
The canonical SMILES for 1,1-difluorobut-1-ene is CCC=C(F)F.
What is the InChIKey of 1,1-difluorobut-1-ene?
The InChIKey is CYICOSUAVXTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2/c1-2-3-4(5)6/h3H,2H2,1H3.
What are the key properties of 1,1-difluorobut-1-ene?
1,1-difluorobut-1-ene has a molecular weight of 92.09 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobut-1-ene is sourced from PubChem (CID 2782310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).