1,1,2,2,3,3,5,5,6,6-decafluorooctane

C8H8F10 — CID 59211715

IUPAC1,1,2,2,3,3,5,5,6,6-decafluorooctane
SMILESCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8F10/c1-2-5(11,12)6(13,14)3-7(15,16)8(17,18)4(9)10/h4H,2-3H2,1H3
InChIKeyNRCIPRQFJCZERH-UHFFFAOYSA-N
MW294.13 g/mol
LogP4.59
Rot. Bonds6

About 1,1,2,2,3,3,5,5,6,6-decafluorooctane

1,1,2,2,3,3,5,5,6,6-decafluorooctane (PubChem CID 59211715) has the molecular formula C8H8F10 and a molecular weight of 294.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,5,5,6,6-decafluorooctane.

Molecular Properties

Compound Name1,1,2,2,3,3,5,5,6,6-decafluorooctane
PubChem CID59211715
Molecular FormulaC8H8F10
Molecular Weight294.13 g/mol
Exact Mass294.05
IUPAC Name1,1,2,2,3,3,5,5,6,6-decafluorooctane
SMILESCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8F10/c1-2-5(11,12)6(13,14)3-7(15,16)8(17,18)4(9)10/h4H,2-3H2,1H3
InChIKeyNRCIPRQFJCZERH-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 54.59
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 1,1,2,2,3,3,5,5,6,6-decafluorooctane?
The IUPAC name of 1,1,2,2,3,3,5,5,6,6-decafluorooctane (CID 59211715) is 1,1,2,2,3,3,5,5,6,6-decafluorooctane.
What is the SMILES notation for 1,1,2,2,3,3,5,5,6,6-decafluorooctane?
The canonical SMILES for 1,1,2,2,3,3,5,5,6,6-decafluorooctane is CCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,5,5,6,6-decafluorooctane?
The InChIKey is NRCIPRQFJCZERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10/c1-2-5(11,12)6(13,14)3-7(15,16)8(17,18)4(9)10/h4H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,5,5,6,6-decafluorooctane?
1,1,2,2,3,3,5,5,6,6-decafluorooctane has a molecular weight of 294.13 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,5,5,6,6-decafluorooctane is sourced from PubChem (CID 59211715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).