2-naphthalen-2-yloxyethanesulfonyl fluoride

C12H11FO3S — CID 118561813

IUPAC2-naphthalen-2-yloxyethanesulfonyl fluoride
SMILESO=S(=O)(F)CCOc1ccc2ccccc2c1
InChIInChI=1S/C12H11FO3S/c13-17(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyNYCZZSJFHIGALP-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.52
Rot. Bonds4

About 2-naphthalen-2-yloxyethanesulfonyl fluoride

2-naphthalen-2-yloxyethanesulfonyl fluoride (PubChem CID 118561813) has the molecular formula C12H11FO3S and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-naphthalen-2-yloxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-naphthalen-2-yloxyethanesulfonyl fluoride
PubChem CID118561813
Molecular FormulaC12H11FO3S
Molecular Weight254.28 g/mol
Exact Mass254.04
IUPAC Name2-naphthalen-2-yloxyethanesulfonyl fluoride
SMILESO=S(=O)(F)CCOc1ccc2ccccc2c1
InChIInChI=1S/C12H11FO3S/c13-17(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyNYCZZSJFHIGALP-UHFFFAOYSA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxyethanesulfonyl fluoride?
The IUPAC name of 2-naphthalen-2-yloxyethanesulfonyl fluoride (CID 118561813) is 2-naphthalen-2-yloxyethanesulfonyl fluoride.
What is the SMILES notation for 2-naphthalen-2-yloxyethanesulfonyl fluoride?
The canonical SMILES for 2-naphthalen-2-yloxyethanesulfonyl fluoride is O=S(=O)(F)CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yloxyethanesulfonyl fluoride?
The InChIKey is NYCZZSJFHIGALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3S/c13-17(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of 2-naphthalen-2-yloxyethanesulfonyl fluoride?
2-naphthalen-2-yloxyethanesulfonyl fluoride has a molecular weight of 254.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxyethanesulfonyl fluoride is sourced from PubChem (CID 118561813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).