1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

C6F10O — CID 54131807

IUPAC1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(F)=C(F)OC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(5(12,13)6(14,15)16)3(10)17-4(11)2(8)9
InChIKeyNUWRWBSPWHMQIM-UHFFFAOYSA-N
MW278.05 g/mol
LogP4.34
Rot. Bonds3

About 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (PubChem CID 54131807) has the molecular formula C6F10O and a molecular weight of 278.05 g/mol. Its IUPAC name is 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.

Molecular Properties

Compound Name1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
PubChem CID54131807
Molecular FormulaC6F10O
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(F)=C(F)OC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(5(12,13)6(14,15)16)3(10)17-4(11)2(8)9
InChIKeyNUWRWBSPWHMQIM-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The IUPAC name of 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (CID 54131807) is 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.
What is the SMILES notation for 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The canonical SMILES for 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is FC(F)=C(F)OC(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The InChIKey is NUWRWBSPWHMQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O/c7-1(5(12,13)6(14,15)16)3(10)17-4(11)2(8)9.
What are the key properties of 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene has a molecular weight of 278.05 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is sourced from PubChem (CID 54131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).