4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene

C6Cl2F8O — CID 15510226

IUPAC4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(F)=C(F)OC(Cl)(Cl)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6Cl2F8O/c7-6(8,17-4(14)3(12)13)5(15,16)1(9)2(10)11
InChIKeyVLGLTTDFXUHSON-UHFFFAOYSA-N
MW310.96 g/mol
LogP4.88
Rot. Bonds4

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

4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene (PubChem CID 15510226) has the molecular formula C6Cl2F8O and a molecular weight of 310.96 g/mol. Its IUPAC name is 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene.

Molecular Properties

Compound Name4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene
PubChem CID15510226
Molecular FormulaC6Cl2F8O
Molecular Weight310.96 g/mol
Exact Mass309.92
IUPAC Name4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(F)=C(F)OC(Cl)(Cl)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6Cl2F8O/c7-6(8,17-4(14)3(12)13)5(15,16)1(9)2(10)11
InChIKeyVLGLTTDFXUHSON-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.96
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene
CID 139602827
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113
2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoyl chloride
CID 131719956
1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane
CID 87882096
4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene
CID 162539017
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167
1,1,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethane
CID 14150208
1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene
CID 13031271

Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene?
The IUPAC name of 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene (CID 15510226) is 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene.
What is the SMILES notation for 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene?
The canonical SMILES for 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene is FC(F)=C(F)OC(Cl)(Cl)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene?
The InChIKey is VLGLTTDFXUHSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F8O/c7-6(8,17-4(14)3(12)13)5(15,16)1(9)2(10)11.
What are the key properties of 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene?
4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene has a molecular weight of 310.96 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene is sourced from PubChem (CID 15510226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).