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

C11H3F7I- — CID 148533966

IUPAC1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene
SMILESC[I-]c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C11H3F7I/c1-19-11-3-2(5(13)9(17)10(11)18)4(12)7(15)8(16)6(3)14/h1H3/q-1
InChIKeyJUTMWHSZANFRKM-UHFFFAOYSA-N
MW395.04 g/mol
LogP0.70
Rot. Bonds1

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

1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene (PubChem CID 148533966) has the molecular formula C11H3F7I- and a molecular weight of 395.04 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene
PubChem CID148533966
Molecular FormulaC11H3F7I-
Molecular Weight395.04 g/mol
Exact Mass394.92
IUPAC Name1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene
SMILESC[I-]c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C11H3F7I/c1-19-11-3-2(5(13)9(17)10(11)18)4(12)7(15)8(16)6(3)14/h1H3/q-1
InChIKeyJUTMWHSZANFRKM-UHFFFAOYSA-N
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.04
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene?
The IUPAC name of 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene (CID 148533966) is 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene?
The canonical SMILES for 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene is C[I-]c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene?
The InChIKey is JUTMWHSZANFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F7I/c1-19-11-3-2(5(13)9(17)10(11)18)4(12)7(15)8(16)6(3)14/h1H3/q-1.
What are the key properties of 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene?
1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene has a molecular weight of 395.04 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptafluoro-8-methyliodanuidylnaphthalene is sourced from PubChem (CID 148533966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).