1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane

C8F18O — CID 138395750

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
SMILESFC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F18O/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)7(23,24)27-8(25,26)6(20,21)22
InChIKeyYMQHIOLQSRSEFT-UHFFFAOYSA-N
MW454.05 g/mol
LogP5.85
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane (PubChem CID 138395750) has the molecular formula C8F18O and a molecular weight of 454.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
PubChem CID138395750
Molecular FormulaC8F18O
Molecular Weight454.05 g/mol
Exact Mass453.97
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
SMILESFC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F18O/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)7(23,24)27-8(25,26)6(20,21)22
InChIKeyYMQHIOLQSRSEFT-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.05
LogP ≤ 55.85
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-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane (CID 138395750) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane is FC(F)(F)C(F)(F)OC(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-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane?
The InChIKey is YMQHIOLQSRSEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F18O/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)7(23,24)27-8(25,26)6(20,21)22.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane has a molecular weight of 454.05 g/mol, XLogP of 5.85, 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-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane is sourced from PubChem (CID 138395750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).