1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane

C8Cl4F14O — CID 22508278

IUPAC1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane
SMILESFC(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8Cl4F14O/c9-1(13,3(15,16)5(11,19)20)7(23,24)27-8(25,26)2(10,14)4(17,18)6(12,21)22
InChIKeyAOUPXAOBASCQBG-UHFFFAOYSA-N
MW519.87 g/mol
LogP6.93
Rot. Bonds8

About 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane

1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane (PubChem CID 22508278) has the molecular formula C8Cl4F14O and a molecular weight of 519.87 g/mol. Its IUPAC name is 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane.

Molecular Properties

Compound Name1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane
PubChem CID22508278
Molecular FormulaC8Cl4F14O
Molecular Weight519.87 g/mol
Exact Mass517.85
IUPAC Name1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane
SMILESFC(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8Cl4F14O/c9-1(13,3(15,16)5(11,19)20)7(23,24)27-8(25,26)2(10,14)4(17,18)6(12,21)22
InChIKeyAOUPXAOBASCQBG-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.87
LogP ≤ 56.93
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

Bis(4-chlorooctafluorobutyl)ether
CID 2737791
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
1,1-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-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane
CID 58623361
1,2-Dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,4-heptafluorobutane
CID 58623368
1,2-Dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,6,6,6-undecafluorohexane
CID 58623379
2,3-Dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,4,4,4-heptafluorobutane
CID 140074245
1-Chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane
CID 172796865
1,2-Dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane
CID 15606311

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane?
The IUPAC name of 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) is 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane.
What is the SMILES notation for 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane?
The canonical SMILES for 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane is FC(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane?
The InChIKey is AOUPXAOBASCQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl4F14O/c9-1(13,3(15,16)5(11,19)20)7(23,24)27-8(25,26)2(10,14)4(17,18)6(12,21)22.
What are the key properties of 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane?
1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane has a molecular weight of 519.87 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4-(2,4-dichloro-1,1,2,3,3,4,4-heptafluorobutoxy)-1,1,2,2,3,4,4-heptafluorobutane is sourced from PubChem (CID 22508278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).