1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane

C6Cl5F9O — CID 58623361

IUPAC1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C6Cl5F9O/c7-1(12,4(10,16)17)2(13,14)6(19,20)21-5(11,18)3(8,9)15
InChIKeyFVEUXONSHPLIPQ-UHFFFAOYSA-N
MW436.31 g/mol
LogP5.93
Rot. Bonds6

About 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane

1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane (PubChem CID 58623361) has the molecular formula C6Cl5F9O and a molecular weight of 436.31 g/mol. Its IUPAC name is 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane.

Molecular Properties

Compound Name1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane
PubChem CID58623361
Molecular FormulaC6Cl5F9O
Molecular Weight436.31 g/mol
Exact Mass433.82
IUPAC Name1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C6Cl5F9O/c7-1(12,4(10,16)17)2(13,14)6(19,20)21-5(11,18)3(8,9)15
InChIKeyFVEUXONSHPLIPQ-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,5,5-Tetrachloro-3,3,4,4-tetrafluorooxolane
CID 24973087
2,2-Dichlorotrifluoroethyl 1,1,3-trichlorotetrafluoropropyl ether
CID 143775
1,2,4,4,6,7-Hexachloro-1,1,2,5,5,6,7,7-octafluoro-3-oxa-heptane
CID 12010405
1,2,4,6, 7-Pentachloro-1,1,2,4,5,5,6,7,7-nonafluoro-3-oxa-heptane
CID 12010406
1,2-Dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2,2-tetrachloro-1-fluoroethoxy)butane
CID 16655136
1,1-Dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane
CID 22001044
1,3-Dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane
CID 22508278
1,1-Dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane
CID 54452953
1,2-Dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,4-heptafluorobutane
CID 58623368
1,3-Dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane
CID 59509883
1,1,1,2-Tetrachloro-3,3,3-trifluoro-2-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
CID 59509884
1,3-Dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
CID 59509886

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane?
The IUPAC name of 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane (CID 58623361) is 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane.
What is the SMILES notation for 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane?
The canonical SMILES for 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane is FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(Cl)Cl.
What is the InChIKey of 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane?
The InChIKey is FVEUXONSHPLIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl5F9O/c7-1(12,4(10,16)17)2(13,14)6(19,20)21-5(11,18)3(8,9)15.
What are the key properties of 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane?
1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane has a molecular weight of 436.31 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane is sourced from PubChem (CID 58623361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).