1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene

C11H4F10 — CID 169082676

IUPAC1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene
SMILESCc1cc(F)c2c(c1F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11H4F10/c1-3-2-4(12)5-6(7(3)13)9(16,17)11(20,21)10(18,19)8(5,14)15/h2H,1H3
InChIKeyMXMZMVYGOGQPLD-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.74
Rot. Bonds

About 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene

1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene (PubChem CID 169082676) has the molecular formula C11H4F10 and a molecular weight of 326.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene
PubChem CID169082676
Molecular FormulaC11H4F10
Molecular Weight326.13 g/mol
Exact Mass326.02
IUPAC Name1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene
SMILESCc1cc(F)c2c(c1F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11H4F10/c1-3-2-4(12)5-6(7(3)13)9(16,17)11(20,21)10(18,19)8(5,14)15/h2H,1H3
InChIKeyMXMZMVYGOGQPLD-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.74
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 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene?
The IUPAC name of 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene (CID 169082676) is 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene is Cc1cc(F)c2c(c1F)C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene?
The InChIKey is MXMZMVYGOGQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F10/c1-3-2-4(12)5-6(7(3)13)9(16,17)11(20,21)10(18,19)8(5,14)15/h2H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene?
1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene has a molecular weight of 326.13 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene is sourced from PubChem (CID 169082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).