1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene

C11H6ClF3OS — CID 142371269

IUPAC1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene
SMILESFC(F)(F)SOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H6ClF3OS/c12-9-5-6-10(16-17-11(13,14)15)8-4-2-1-3-7(8)9/h1-6H
InChIKeyWBIBPTXYDVZWLO-UHFFFAOYSA-N
MW278.68 g/mol
LogP5.04
Rot. Bonds2

About 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene

1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene (PubChem CID 142371269) has the molecular formula C11H6ClF3OS and a molecular weight of 278.68 g/mol. Its IUPAC name is 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene.

Molecular Properties

Compound Name1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene
PubChem CID142371269
Molecular FormulaC11H6ClF3OS
Molecular Weight278.68 g/mol
Exact Mass277.98
IUPAC Name1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene
SMILESFC(F)(F)SOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H6ClF3OS/c12-9-5-6-10(16-17-11(13,14)15)8-4-2-1-3-7(8)9/h1-6H
InChIKeyWBIBPTXYDVZWLO-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.68
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene?
The IUPAC name of 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene (CID 142371269) is 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene.
What is the SMILES notation for 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene?
The canonical SMILES for 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene is FC(F)(F)SOc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene?
The InChIKey is WBIBPTXYDVZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3OS/c12-9-5-6-10(16-17-11(13,14)15)8-4-2-1-3-7(8)9/h1-6H.
What are the key properties of 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene?
1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene has a molecular weight of 278.68 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene is sourced from PubChem (CID 142371269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).