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

C11H3F7 — CID 3905536

IUPAC1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
SMILESCc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C11H3F7/c1-2-5(12)3-4(7(14)6(2)13)9(16)11(18)10(17)8(3)15/h1H3
InChIKeyIRPQVVQHRCXDNQ-UHFFFAOYSA-N
MW268.13 g/mol
LogP4.12
Rot. Bonds

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

1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene (PubChem CID 3905536) has the molecular formula C11H3F7 and a molecular weight of 268.13 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
PubChem CID3905536
Molecular FormulaC11H3F7
Molecular Weight268.13 g/mol
Exact Mass268.01
IUPAC Name1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
SMILESCc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C11H3F7/c1-2-5(12)3-4(7(14)6(2)13)9(16)11(18)10(17)8(3)15/h1H3
InChIKeyIRPQVVQHRCXDNQ-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene?
The IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene (CID 3905536) is 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene?
The canonical SMILES for 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene is Cc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene?
The InChIKey is IRPQVVQHRCXDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F7/c1-2-5(12)3-4(7(14)6(2)13)9(16)11(18)10(17)8(3)15/h1H3.
What are the key properties of 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene?
1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene has a molecular weight of 268.13 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene is sourced from PubChem (CID 3905536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).