1-(trifluoromethylsulfonyl)naphthalene

C11H7F3O2S — CID 11265425

IUPAC1-(trifluoromethylsulfonyl)naphthalene
SMILESO=S(=O)(c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H7F3O2S/c12-11(13,14)17(15,16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyHBVGGTFVMLWQMT-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.13
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)naphthalene

1-(trifluoromethylsulfonyl)naphthalene (PubChem CID 11265425) has the molecular formula C11H7F3O2S and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)naphthalene.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)naphthalene
PubChem CID11265425
Molecular FormulaC11H7F3O2S
Molecular Weight260.24 g/mol
Exact Mass260.01
IUPAC Name1-(trifluoromethylsulfonyl)naphthalene
SMILESO=S(=O)(c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H7F3O2S/c12-11(13,14)17(15,16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyHBVGGTFVMLWQMT-UHFFFAOYSA-N
XLogP3.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)naphthalene?
The IUPAC name of 1-(trifluoromethylsulfonyl)naphthalene (CID 11265425) is 1-(trifluoromethylsulfonyl)naphthalene.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)naphthalene?
The canonical SMILES for 1-(trifluoromethylsulfonyl)naphthalene is O=S(=O)(c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)naphthalene?
The InChIKey is HBVGGTFVMLWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2S/c12-11(13,14)17(15,16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-(trifluoromethylsulfonyl)naphthalene?
1-(trifluoromethylsulfonyl)naphthalene has a molecular weight of 260.24 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)naphthalene is sourced from PubChem (CID 11265425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).