1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

C8H2F16 — CID 2776271

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H
InChIKeyJCRVQXKRULILSR-UHFFFAOYSA-N
MW402.07 g/mol
LogP5.33
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane (PubChem CID 2776271) has the molecular formula C8H2F16 and a molecular weight of 402.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
PubChem CID2776271
Molecular FormulaC8H2F16
Molecular Weight402.07 g/mol
Exact Mass401.99
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H
InChIKeyJCRVQXKRULILSR-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.07
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane (CID 2776271) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
The InChIKey is JCRVQXKRULILSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane has a molecular weight of 402.07 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane is sourced from PubChem (CID 2776271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).