1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene

C10H2F16 — CID 21225585

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
SMILESFC1(F)C2C(C(F)(F)C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H2F16/c11-3(12)1-2(5(15,16)9(23,24)7(3,19)20)6(17,18)10(25,26)8(21,22)4(1,13)14/h1-2H
InChIKeyULEPXMHCYXSIAB-UHFFFAOYSA-N
MW426.09 g/mol
LogP5.33
Rot. Bonds

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

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene (PubChem CID 21225585) has the molecular formula C10H2F16 and a molecular weight of 426.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
PubChem CID21225585
Molecular FormulaC10H2F16
Molecular Weight426.09 g/mol
Exact Mass425.99
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
SMILESFC1(F)C2C(C(F)(F)C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H2F16/c11-3(12)1-2(5(15,16)9(23,24)7(3,19)20)6(17,18)10(25,26)8(21,22)4(1,13)14/h1-2H
InChIKeyULEPXMHCYXSIAB-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.09
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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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
CID 88625549
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene
CID 22642483
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
CID 155107426
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-prop-2-enyl-4a,8a-dihydroquinoline
CID 88680709
3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol
CID 150455539
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
CID 75360843
1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
CID 160699918
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052

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-hexadecafluoro-4a,8a-dihydronaphthalene?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene (CID 21225585) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene is FC1(F)C2C(C(F)(F)C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene?
The InChIKey is ULEPXMHCYXSIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F16/c11-3(12)1-2(5(15,16)9(23,24)7(3,19)20)6(17,18)10(25,26)8(21,22)4(1,13)14/h1-2H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene has a molecular weight of 426.09 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene is sourced from PubChem (CID 21225585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).