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

C8Cl4F14O — CID 54452953

IUPAC1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Cl)(Cl)OC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8Cl4F14O/c9-5(10,1(13,14)3(17,18)7(21,22)23)27-6(11,12)2(15,16)4(19,20)8(24,25)26
InChIKeyWWFBBJSUNCJJRC-UHFFFAOYSA-N
MW519.87 g/mol
LogP6.93
Rot. Bonds6

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

1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane (PubChem CID 54452953) has the molecular formula C8Cl4F14O and a molecular weight of 519.87 g/mol. Its IUPAC name is 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane.

Molecular Properties

Compound Name1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane
PubChem CID54452953
Molecular FormulaC8Cl4F14O
Molecular Weight519.87 g/mol
Exact Mass517.85
IUPAC Name1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Cl)(Cl)OC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8Cl4F14O/c9-5(10,1(13,14)3(17,18)7(21,22)23)27-6(11,12)2(15,16)4(19,20)8(24,25)26
InChIKeyWWFBBJSUNCJJRC-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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'}

Analyze 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane with MolForge

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Related Compounds

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1,2,4,4,6,7-Hexachloro-1,1,2,5,5,6,7,7-octafluoro-3-oxa-heptane
CID 12010405
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
1,2-Dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane
CID 58623361
1,1-Dichloro-1-(1,1-dichloro-4,4-difluorobutoxy)-4,4-difluorobutane
CID 88436015
4,4-Dichloro-4-(1,1-dichloro-3,3,4,4,4-pentafluorobutoxy)-1,1,1,2,2-pentafluorobutane
CID 153999925
1,1-Dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane
CID 154194307

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane?
The IUPAC name of 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) is 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane.
What is the SMILES notation for 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane?
The canonical SMILES for 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane is FC(F)(F)C(F)(F)C(F)(F)C(Cl)(Cl)OC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane?
The InChIKey is WWFBBJSUNCJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl4F14O/c9-5(10,1(13,14)3(17,18)7(21,22)23)27-6(11,12)2(15,16)4(19,20)8(24,25)26.
What are the key properties of 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane?
1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane has a molecular weight of 519.87 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutoxy)-2,2,3,3,4,4,4-heptafluorobutane is sourced from PubChem (CID 54452953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).