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

C15H17F11 — CID 22642483

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene
SMILESCC1(C)C2C(C(F)(F)C(C)(F)C1(C)C)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C15H17F11/c1-8(2)6-7(11(17,18)10(5,16)9(8,3)4)13(21,22)15(25,26)14(23,24)12(6,19)20/h6-7H,1-5H3
InChIKeyORKLFXOROWBAQK-UHFFFAOYSA-N
MW406.28 g/mol
LogP6.20
Rot. Bonds

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

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene (PubChem CID 22642483) has the molecular formula C15H17F11 and a molecular weight of 406.28 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene
PubChem CID22642483
Molecular FormulaC15H17F11
Molecular Weight406.28 g/mol
Exact Mass406.12
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene
SMILESCC1(C)C2C(C(F)(F)C(C)(F)C1(C)C)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C15H17F11/c1-8(2)6-7(11(17,18)10(5,16)9(8,3)4)13(21,22)15(25,26)14(23,24)12(6,19)20/h6-7H,1-5H3
InChIKeyORKLFXOROWBAQK-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.28
LogP ≤ 56.20
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-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
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-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
CID 155107426
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1,1,2,2,3,4,4,5-octafluoro-3,5-dimethylcyclopentane
CID 89333717
1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
CID 68649915
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol
CID 134604963
1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane
CID 87665387
2,2,3,4,4,5-hexafluoro-3,5-dimethyloxolane
CID 118020327

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene (CID 22642483) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene is CC1(C)C2C(C(F)(F)C(C)(F)C1(C)C)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-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene?
The InChIKey is ORKLFXOROWBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F11/c1-8(2)6-7(11(17,18)10(5,16)9(8,3)4)13(21,22)15(25,26)14(23,24)12(6,19)20/h6-7H,1-5H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene has a molecular weight of 406.28 g/mol, XLogP of 6.20, 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-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene is sourced from PubChem (CID 22642483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).