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Perfluorodecalin

C10F18 — CID 9386

💊View drug profile → perflunafene

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
SMILESFC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
InChIInChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16
InChIKeyUWEYRJFJVCLAGH-UHFFFAOYSA-N
MW462.07 g/mol
LogP5.51
Rot. Bonds

About Perfluorodecalin

Perfluorodecalin (PubChem CID 9386) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene.

Molecular Properties

Compound NamePerfluorodecalin
PubChem CID9386
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
SMILESFC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
InChIInChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16
InChIKeyUWEYRJFJVCLAGH-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Perfluorodecahydro-2-n-butylnaphthalene
CID 14298019
Perfluorodecahydro-1-(perfluorobutyl)naphthalene
CID 54005613
Perfluorodecahydro-1-t-butylnaphthalene
CID 138396254
Perfluorodecahydro-1-sec-butylnaphthalene
CID 138396255
Perfluorodecahydro-1-isobutylnaphthalene
CID 138396256
Perfluorodecahydro-2-sec-butylnaphthalene
CID 138396258
Perfluorodecahydro-2-iso-butylnaphthalene
CID 138396259
Perfluorodecalin water
CID 86626548

Frequently Asked Questions

What is the IUPAC name of Perfluorodecalin?
The IUPAC name of Perfluorodecalin (CID 9386) is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene.
What is the SMILES notation for Perfluorodecalin?
The canonical SMILES for Perfluorodecalin is FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F.
What is the InChIKey of Perfluorodecalin?
The InChIKey is UWEYRJFJVCLAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16.
What are the key properties of Perfluorodecalin?
Perfluorodecalin has a molecular weight of 462.07 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Perfluorodecalin is sourced from PubChem (CID 9386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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