3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene

C7F12O — CID 22133710

IUPAC3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene
SMILESFC(F)=C(F)OC(F)(F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C7F12O/c8-1(2(9)10)5(14,6(15,16)17)7(18,19)20-4(13)3(11)12
InChIKeyANXIPTXPZRSHKW-UHFFFAOYSA-N
MW328.05 g/mol
LogP4.98
Rot. Bonds4

About 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene

3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene (PubChem CID 22133710) has the molecular formula C7F12O and a molecular weight of 328.05 g/mol. Its IUPAC name is 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene
PubChem CID22133710
Molecular FormulaC7F12O
Molecular Weight328.05 g/mol
Exact Mass327.98
IUPAC Name3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene
SMILESFC(F)=C(F)OC(F)(F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C7F12O/c8-1(2(9)10)5(14,6(15,16)17)7(18,19)20-4(13)3(11)12
InChIKeyANXIPTXPZRSHKW-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.05
LogP ≤ 54.98
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 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene?
The IUPAC name of 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene (CID 22133710) is 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene?
The canonical SMILES for 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene is FC(F)=C(F)OC(F)(F)C(F)(C(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene?
The InChIKey is ANXIPTXPZRSHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O/c8-1(2(9)10)5(14,6(15,16)17)7(18,19)20-4(13)3(11)12.
What are the key properties of 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene?
3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene has a molecular weight of 328.05 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,4,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 22133710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).