(1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride

C14H11FO2S — CID 155543038

IUPAC(1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride
SMILESO=S(=O)(F)/C=C/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C14H11FO2S/c15-18(16,17)10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-11H/b5-3+,10-4+
InChIKeyJVEUWJBYQPDEHG-OXWOXFIQSA-N
MW262.31 g/mol
LogP3.67
Rot. Bonds3

About (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride

(1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride (PubChem CID 155543038) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride.

Molecular Properties

Compound Name(1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride
PubChem CID155543038
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Name(1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride
SMILESO=S(=O)(F)/C=C/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C14H11FO2S/c15-18(16,17)10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-11H/b5-3+,10-4+
InChIKeyJVEUWJBYQPDEHG-OXWOXFIQSA-N
XLogP3.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride?
The IUPAC name of (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride (CID 155543038) is (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride.
What is the SMILES notation for (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride?
The canonical SMILES for (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride is O=S(=O)(F)/C=C/C=C/c1ccc2ccccc2c1.
What is the InChIKey of (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride?
The InChIKey is JVEUWJBYQPDEHG-OXWOXFIQSA-N. The full InChI is InChI=1S/C14H11FO2S/c15-18(16,17)10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-11H/b5-3+,10-4+.
What are the key properties of (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride?
(1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride has a molecular weight of 262.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-naphthalen-2-ylbuta-1,3-diene-1-sulfonyl fluoride is sourced from PubChem (CID 155543038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).