2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene

C8H10F4O — CID 19868276

IUPAC2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene
SMILESCCC(OC(CC)=C(F)F)=C(F)F
InChIInChI=1S/C8H10F4O/c1-3-5(7(9)10)13-6(4-2)8(11)12/h3-4H2,1-2H3
InChIKeyMQUOJTVXARTBCD-UHFFFAOYSA-N
MW198.16 g/mol
LogP4.04
Rot. Bonds4

About 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene

2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene (PubChem CID 19868276) has the molecular formula C8H10F4O and a molecular weight of 198.16 g/mol. Its IUPAC name is 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene.

Molecular Properties

Compound Name2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene
PubChem CID19868276
Molecular FormulaC8H10F4O
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Name2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene
SMILESCCC(OC(CC)=C(F)F)=C(F)F
InChIInChI=1S/C8H10F4O/c1-3-5(7(9)10)13-6(4-2)8(11)12/h3-4H2,1-2H3
InChIKeyMQUOJTVXARTBCD-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene?
The IUPAC name of 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene (CID 19868276) is 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene.
What is the SMILES notation for 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene?
The canonical SMILES for 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene is CCC(OC(CC)=C(F)F)=C(F)F.
What is the InChIKey of 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene?
The InChIKey is MQUOJTVXARTBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O/c1-3-5(7(9)10)13-6(4-2)8(11)12/h3-4H2,1-2H3.
What are the key properties of 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene?
2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene has a molecular weight of 198.16 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene is sourced from PubChem (CID 19868276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).