2-(trifluoromethylsulfanyl)naphthalene

C11H7F3S — CID 102326014

IUPAC2-(trifluoromethylsulfanyl)naphthalene
SMILESFC(F)(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C11H7F3S/c12-11(13,14)15-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeySNRKAJDNPUWJJJ-UHFFFAOYSA-N
MW228.24 g/mol
LogP4.45
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)naphthalene

2-(trifluoromethylsulfanyl)naphthalene (PubChem CID 102326014) has the molecular formula C11H7F3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)naphthalene
PubChem CID102326014
Molecular FormulaC11H7F3S
Molecular Weight228.24 g/mol
Exact Mass228.02
IUPAC Name2-(trifluoromethylsulfanyl)naphthalene
SMILESFC(F)(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C11H7F3S/c12-11(13,14)15-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeySNRKAJDNPUWJJJ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)naphthalene?
The IUPAC name of 2-(trifluoromethylsulfanyl)naphthalene (CID 102326014) is 2-(trifluoromethylsulfanyl)naphthalene.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)naphthalene?
The canonical SMILES for 2-(trifluoromethylsulfanyl)naphthalene is FC(F)(F)Sc1ccc2ccccc2c1.
What is the InChIKey of 2-(trifluoromethylsulfanyl)naphthalene?
The InChIKey is SNRKAJDNPUWJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3S/c12-11(13,14)15-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 2-(trifluoromethylsulfanyl)naphthalene?
2-(trifluoromethylsulfanyl)naphthalene has a molecular weight of 228.24 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)naphthalene is sourced from PubChem (CID 102326014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).