1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene

C11H3F9 — CID 13107121

IUPAC1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene
SMILESCc1c(F)c(F)c(F)c2c1C(F)(F)C(F)=C(F)C2(F)F
InChIInChI=1S/C11H3F9/c1-2-3-4(6(13)7(14)5(2)12)11(19,20)9(16)8(15)10(3,17)18/h1H3
InChIKeyQOBCKANSYVIKSO-UHFFFAOYSA-N
MW306.13 g/mol
LogP4.76
Rot. Bonds

About 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene

1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene (PubChem CID 13107121) has the molecular formula C11H3F9 and a molecular weight of 306.13 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene
PubChem CID13107121
Molecular FormulaC11H3F9
Molecular Weight306.13 g/mol
Exact Mass306.01
IUPAC Name1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene
SMILESCc1c(F)c(F)c(F)c2c1C(F)(F)C(F)=C(F)C2(F)F
InChIInChI=1S/C11H3F9/c1-2-3-4(6(13)7(14)5(2)12)11(19,20)9(16)8(15)10(3,17)18/h1H3
InChIKeyQOBCKANSYVIKSO-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene?
The IUPAC name of 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene (CID 13107121) is 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene.
What is the SMILES notation for 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene?
The canonical SMILES for 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene is Cc1c(F)c(F)c(F)c2c1C(F)(F)C(F)=C(F)C2(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene?
The InChIKey is QOBCKANSYVIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F9/c1-2-3-4(6(13)7(14)5(2)12)11(19,20)9(16)8(15)10(3,17)18/h1H3.
What are the key properties of 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene?
1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene has a molecular weight of 306.13 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,6,7-nonafluoro-8-methylnaphthalene is sourced from PubChem (CID 13107121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).