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

C14H6F24O — CID 87506219

IUPAC1-(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
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C14H6F24O/c1-3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)39-14(37,38)12(33,34)10(29,30)8(25,26)6(21,22)4(2,17)18/h1-2H3
InChIKeyOFGIFFHTGIVHEC-UHFFFAOYSA-N
MW646.15 g/mol
LogP8.58
Rot. Bonds12

About 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

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 (PubChem CID 87506219) has the molecular formula C14H6F24O and a molecular weight of 646.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID87506219
Molecular FormulaC14H6F24O
Molecular Weight646.15 g/mol
Exact Mass646.00
IUPAC Name1-(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
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C14H6F24O/c1-3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)39-14(37,38)12(33,34)10(29,30)8(25,26)6(21,22)4(2,17)18/h1-2H3
InChIKeyOFGIFFHTGIVHEC-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.15
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
CID 129185682
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
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene
CID 167303617
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
2,2,3,3,4,4-hexafluoropentane
CID 18188371
1,1,2-trifluoro-2-methyl-1-(1,1,2-trifluoro-2-methylpropoxy)propane
CID 87276476
2,2,3,3,4,4,5,5,6,6-decafluoro-1-[2,2,3,3-tetrafluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]heptane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluoro-13,13-dimethyltetradecane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-[1,1,2,2,3,3-hexafluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]heptane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10,10-dimethylundecane;2,2,3,3,4,4-hexafluoro-5-[2,2,3,3-tetrafluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pentan-1-ol;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12,12-dimethyltridecane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoro-11,11-dimethyldodecane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-9,9-dimethyldecane
CID 167599851
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 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?
The InChIKey is OFGIFFHTGIVHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F24O/c1-3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)39-14(37,38)12(33,34)10(29,30)8(25,26)6(21,22)4(2,17)18/h1-2H3.
What are the key properties of 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?
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 has a molecular weight of 646.15 g/mol, XLogP of 8.58, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87506219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).