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

C8Cl4F14O — CID 22001044

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

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

1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane (PubChem CID 22001044) has the molecular formula C8Cl4F14O and a molecular weight of 519.87 g/mol. Its IUPAC name is 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane.

Molecular Properties

Compound Name1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane
PubChem CID22001044
Molecular FormulaC8Cl4F14O
Molecular Weight519.87 g/mol
Exact Mass517.85
IUPAC Name1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane
SMILESFC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C8Cl4F14O/c9-5(10,21)1(13,14)3(17,18)7(23,24)27-8(25,26)4(19,20)2(15,16)6(11,12)22
InChIKeyXLHQMWKXRIHHSX-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 12829603
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butane
CID 11325674
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 87506219
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
2-(7-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptoxy)-1,1,2,2-tetrafluoroethanesulfonate
CID 162679373
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
CID 173336880
1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane
CID 102345712
1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
CID 154303598
[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl] hypofluorite
CID 170110314
1,1,2,2,3,3,4,4-octafluoro-1,4-bis[[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoro-2-iodoethoxy)propan-2-yl]oxy]butane
CID 139632990

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane?
The IUPAC name of 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) is 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane.
What is the SMILES notation for 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane?
The canonical SMILES for 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane is FC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane?
The InChIKey is XLHQMWKXRIHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl4F14O/c9-5(10,21)1(13,14)3(17,18)7(23,24)27-8(25,26)4(19,20)2(15,16)6(11,12)22.
What are the key properties of 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane?
1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-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 1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane is sourced from PubChem (CID 22001044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).