1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane

C10F22O — CID 13383172

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane
SMILESFC(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-2(12,1(7(21,22)23,8(24,25)26)33-10(30,31)32)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29
InChIKeyIXXSNLODCMIPJR-UHFFFAOYSA-N
MW554.06 g/mol
LogP7.12
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane

1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane (PubChem CID 13383172) has the molecular formula C10F22O and a molecular weight of 554.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane
PubChem CID13383172
Molecular FormulaC10F22O
Molecular Weight554.06 g/mol
Exact Mass553.96
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane
SMILESFC(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-2(12,1(7(21,22)23,8(24,25)26)33-10(30,31)32)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29
InChIKeyIXXSNLODCMIPJR-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.06
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane (CID 13383172) is 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane is FC(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane?
The InChIKey is IXXSNLODCMIPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O/c11-2(12,1(7(21,22)23,8(24,25)26)33-10(30,31)32)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane?
1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane has a molecular weight of 554.06 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-hexadecafluoro-7-(trifluoromethoxy)-7-(trifluoromethyl)octane is sourced from PubChem (CID 13383172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).