1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene

C10F16 — CID 12909421

IUPAC1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene
SMILESFC1=C(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F16/c11-1-2(12)4(14,15)7(19,20)5(16)3(1,13)6(17,18)9(23,24)10(25,26)8(5,21)22
InChIKeyXTUYFAHXGRJVNN-UHFFFAOYSA-N
MW424.08 g/mol
LogP5.39
Rot. Bonds

About 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene (PubChem CID 12909421) has the molecular formula C10F16 and a molecular weight of 424.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene
PubChem CID12909421
Molecular FormulaC10F16
Molecular Weight424.08 g/mol
Exact Mass423.97
IUPAC Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene
SMILESFC1=C(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F16/c11-1-2(12)4(14,15)7(19,20)5(16)3(1,13)6(17,18)9(23,24)10(25,26)8(5,21)22
InChIKeyXTUYFAHXGRJVNN-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.08
LogP ≤ 55.39
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 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene?
The IUPAC name of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene (CID 12909421) is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene?
The canonical SMILES for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene is FC1=C(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene?
The InChIKey is XTUYFAHXGRJVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F16/c11-1-2(12)4(14,15)7(19,20)5(16)3(1,13)6(17,18)9(23,24)10(25,26)8(5,21)22.
What are the key properties of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene?
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene has a molecular weight of 424.08 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8a-hexadecafluoronaphthalene is sourced from PubChem (CID 12909421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).