1-(difluoromethyl)-3-iodonaphthalene

C11H7F2I — CID 118847241

IUPAC1-(difluoromethyl)-3-iodonaphthalene
SMILESFC(F)c1cc(I)cc2ccccc12
InChIInChI=1S/C11H7F2I/c12-11(13)10-6-8(14)5-7-3-1-2-4-9(7)10/h1-6,11H
InChIKeyFKKBDXSMAFKWTM-UHFFFAOYSA-N
MW304.08 g/mol
LogP4.38
Rot. Bonds1

About 1-(difluoromethyl)-3-iodonaphthalene

1-(difluoromethyl)-3-iodonaphthalene (PubChem CID 118847241) has the molecular formula C11H7F2I and a molecular weight of 304.08 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-iodonaphthalene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-iodonaphthalene
PubChem CID118847241
Molecular FormulaC11H7F2I
Molecular Weight304.08 g/mol
Exact Mass303.96
IUPAC Name1-(difluoromethyl)-3-iodonaphthalene
SMILESFC(F)c1cc(I)cc2ccccc12
InChIInChI=1S/C11H7F2I/c12-11(13)10-6-8(14)5-7-3-1-2-4-9(7)10/h1-6,11H
InChIKeyFKKBDXSMAFKWTM-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-iodonaphthalene?
The IUPAC name of 1-(difluoromethyl)-3-iodonaphthalene (CID 118847241) is 1-(difluoromethyl)-3-iodonaphthalene.
What is the SMILES notation for 1-(difluoromethyl)-3-iodonaphthalene?
The canonical SMILES for 1-(difluoromethyl)-3-iodonaphthalene is FC(F)c1cc(I)cc2ccccc12.
What is the InChIKey of 1-(difluoromethyl)-3-iodonaphthalene?
The InChIKey is FKKBDXSMAFKWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2I/c12-11(13)10-6-8(14)5-7-3-1-2-4-9(7)10/h1-6,11H.
What are the key properties of 1-(difluoromethyl)-3-iodonaphthalene?
1-(difluoromethyl)-3-iodonaphthalene has a molecular weight of 304.08 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-iodonaphthalene is sourced from PubChem (CID 118847241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).