4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene

C16H12FIOS — CID 122669108

IUPAC4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene
SMILESO=S(C1=CCCc2cc(I)ccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FIOS/c17-12-4-7-14(8-5-12)20(19)16-3-1-2-11-10-13(18)6-9-15(11)16/h3-10H,1-2H2
InChIKeyGKZMVTQFNRQEFD-UHFFFAOYSA-N
MW398.24 g/mol
LogP4.53
Rot. Bonds2

About 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene

4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene (PubChem CID 122669108) has the molecular formula C16H12FIOS and a molecular weight of 398.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene
PubChem CID122669108
Molecular FormulaC16H12FIOS
Molecular Weight398.24 g/mol
Exact Mass397.96
IUPAC Name4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene
SMILESO=S(C1=CCCc2cc(I)ccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FIOS/c17-12-4-7-14(8-5-12)20(19)16-3-1-2-11-10-13(18)6-9-15(11)16/h3-10H,1-2H2
InChIKeyGKZMVTQFNRQEFD-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 54.53
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 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene?
The IUPAC name of 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene (CID 122669108) is 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene.
What is the SMILES notation for 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene?
The canonical SMILES for 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene is O=S(C1=CCCc2cc(I)ccc21)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene?
The InChIKey is GKZMVTQFNRQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIOS/c17-12-4-7-14(8-5-12)20(19)16-3-1-2-11-10-13(18)6-9-15(11)16/h3-10H,1-2H2.
What are the key properties of 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene?
4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene has a molecular weight of 398.24 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfinyl-7-iodo-1,2-dihydronaphthalene is sourced from PubChem (CID 122669108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).