3-(difluoromethoxy)-1-iodonaphthalene

C11H7F2IO — CID 118814613

IUPAC3-(difluoromethoxy)-1-iodonaphthalene
SMILESFC(F)Oc1cc(I)c2ccccc2c1
InChIInChI=1S/C11H7F2IO/c12-11(13)15-8-5-7-3-1-2-4-9(7)10(14)6-8/h1-6,11H
InChIKeyMIQPIFYJSVUCKY-UHFFFAOYSA-N
MW320.08 g/mol
LogP4.05
Rot. Bonds2

About 3-(difluoromethoxy)-1-iodonaphthalene

3-(difluoromethoxy)-1-iodonaphthalene (PubChem CID 118814613) has the molecular formula C11H7F2IO and a molecular weight of 320.08 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-iodonaphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-iodonaphthalene
PubChem CID118814613
Molecular FormulaC11H7F2IO
Molecular Weight320.08 g/mol
Exact Mass319.95
IUPAC Name3-(difluoromethoxy)-1-iodonaphthalene
SMILESFC(F)Oc1cc(I)c2ccccc2c1
InChIInChI=1S/C11H7F2IO/c12-11(13)15-8-5-7-3-1-2-4-9(7)10(14)6-8/h1-6,11H
InChIKeyMIQPIFYJSVUCKY-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-iodonaphthalene?
The IUPAC name of 3-(difluoromethoxy)-1-iodonaphthalene (CID 118814613) is 3-(difluoromethoxy)-1-iodonaphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-1-iodonaphthalene?
The canonical SMILES for 3-(difluoromethoxy)-1-iodonaphthalene is FC(F)Oc1cc(I)c2ccccc2c1.
What is the InChIKey of 3-(difluoromethoxy)-1-iodonaphthalene?
The InChIKey is MIQPIFYJSVUCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2IO/c12-11(13)15-8-5-7-3-1-2-4-9(7)10(14)6-8/h1-6,11H.
What are the key properties of 3-(difluoromethoxy)-1-iodonaphthalene?
3-(difluoromethoxy)-1-iodonaphthalene has a molecular weight of 320.08 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-iodonaphthalene is sourced from PubChem (CID 118814613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).