2-(trifluoromethylsulfonylmethyl)naphthalene

C12H9F3O2S — CID 11311857

IUPAC2-(trifluoromethylsulfonylmethyl)naphthalene
SMILESO=S(=O)(Cc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C12H9F3O2S/c13-12(14,15)18(16,17)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyQCIHBKDVWXEPIK-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.27
Rot. Bonds2

About 2-(trifluoromethylsulfonylmethyl)naphthalene

2-(trifluoromethylsulfonylmethyl)naphthalene (PubChem CID 11311857) has the molecular formula C12H9F3O2S and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylmethyl)naphthalene.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylmethyl)naphthalene
PubChem CID11311857
Molecular FormulaC12H9F3O2S
Molecular Weight274.26 g/mol
Exact Mass274.03
IUPAC Name2-(trifluoromethylsulfonylmethyl)naphthalene
SMILESO=S(=O)(Cc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C12H9F3O2S/c13-12(14,15)18(16,17)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyQCIHBKDVWXEPIK-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylmethyl)naphthalene?
The IUPAC name of 2-(trifluoromethylsulfonylmethyl)naphthalene (CID 11311857) is 2-(trifluoromethylsulfonylmethyl)naphthalene.
What is the SMILES notation for 2-(trifluoromethylsulfonylmethyl)naphthalene?
The canonical SMILES for 2-(trifluoromethylsulfonylmethyl)naphthalene is O=S(=O)(Cc1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylmethyl)naphthalene?
The InChIKey is QCIHBKDVWXEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2S/c13-12(14,15)18(16,17)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2.
What are the key properties of 2-(trifluoromethylsulfonylmethyl)naphthalene?
2-(trifluoromethylsulfonylmethyl)naphthalene has a molecular weight of 274.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylmethyl)naphthalene is sourced from PubChem (CID 11311857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).