(E)-2-naphthalen-1-ylethenesulfonyl fluoride

C12H9FO2S — CID 132502427

IUPAC(E)-2-naphthalen-1-ylethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cccc2ccccc12
InChIInChI=1S/C12H9FO2S/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H/b9-8+
InChIKeyJRGFCIFOORLBEQ-CMDGGOBGSA-N
MW236.27 g/mol
LogP3.11
Rot. Bonds2

About (E)-2-naphthalen-1-ylethenesulfonyl fluoride

(E)-2-naphthalen-1-ylethenesulfonyl fluoride (PubChem CID 132502427) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is (E)-2-naphthalen-1-ylethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-naphthalen-1-ylethenesulfonyl fluoride
PubChem CID132502427
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name(E)-2-naphthalen-1-ylethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cccc2ccccc12
InChIInChI=1S/C12H9FO2S/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H/b9-8+
InChIKeyJRGFCIFOORLBEQ-CMDGGOBGSA-N
XLogP3.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-naphthalen-1-ylethenesulfonyl fluoride?
The IUPAC name of (E)-2-naphthalen-1-ylethenesulfonyl fluoride (CID 132502427) is (E)-2-naphthalen-1-ylethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-naphthalen-1-ylethenesulfonyl fluoride?
The canonical SMILES for (E)-2-naphthalen-1-ylethenesulfonyl fluoride is O=S(=O)(F)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-2-naphthalen-1-ylethenesulfonyl fluoride?
The InChIKey is JRGFCIFOORLBEQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H9FO2S/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H/b9-8+.
What are the key properties of (E)-2-naphthalen-1-ylethenesulfonyl fluoride?
(E)-2-naphthalen-1-ylethenesulfonyl fluoride has a molecular weight of 236.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-naphthalen-1-ylethenesulfonyl fluoride is sourced from PubChem (CID 132502427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).