6-fluoroocta-3,5,7-triene-3-sulfonyl chloride

C8H10ClFO2S — CID 123963654

IUPAC6-fluoroocta-3,5,7-triene-3-sulfonyl chloride
SMILESC=CC(F)=CC=C(CC)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClFO2S/c1-3-7(10)5-6-8(4-2)13(9,11)12/h3,5-6H,1,4H2,2H3
InChIKeyJSCBNPRXHVWZRT-UHFFFAOYSA-N
MW224.68 g/mol
LogP2.89
Rot. Bonds4

About 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride

6-fluoroocta-3,5,7-triene-3-sulfonyl chloride (PubChem CID 123963654) has the molecular formula C8H10ClFO2S and a molecular weight of 224.68 g/mol. Its IUPAC name is 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoroocta-3,5,7-triene-3-sulfonyl chloride
PubChem CID123963654
Molecular FormulaC8H10ClFO2S
Molecular Weight224.68 g/mol
Exact Mass224.01
IUPAC Name6-fluoroocta-3,5,7-triene-3-sulfonyl chloride
SMILESC=CC(F)=CC=C(CC)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClFO2S/c1-3-7(10)5-6-8(4-2)13(9,11)12/h3,5-6H,1,4H2,2H3
InChIKeyJSCBNPRXHVWZRT-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-(fluoromethylidene)-6-methylhepta-1,3-diene-2-sulfonate
CID 58734652
(2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride
CID 118303821
(3E,5Z)-2-fluoro-4-methylsulfonylocta-1,3,5-triene
CID 121299094
5-Ethenyl-1,3,4-trifluoro-7-methylocta-1,3,5,7-tetraene-2-sulfonic acid
CID 123341404
(2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride
CID 134449009
(4E,6E)-2,7-difluoro-5-methylsulfonylnona-1,4,6-triene
CID 134449032
(3Z,5E)-2-fluoro-5-methyl-6-methylsulfonylhepta-1,3,5-triene
CID 143486671
(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-triene-2-sulfonyl chloride
CID 143835645
1-Fluorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 153873601
4-Fluoro-4-methylcyclohexa-1,5-diene-1-sulfonyl chloride
CID 153970306
(3E,5Z)-8,8-difluoro-4-methylsulfonylocta-1,3,5-triene
CID 155049764
4-Fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl chloride
CID 162026697

Frequently Asked Questions

What is the IUPAC name of 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride?
The IUPAC name of 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride (CID 123963654) is 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride.
What is the SMILES notation for 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride?
The canonical SMILES for 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride is C=CC(F)=CC=C(CC)S(=O)(=O)Cl.
What is the InChIKey of 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride?
The InChIKey is JSCBNPRXHVWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFO2S/c1-3-7(10)5-6-8(4-2)13(9,11)12/h3,5-6H,1,4H2,2H3.
What are the key properties of 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride?
6-fluoroocta-3,5,7-triene-3-sulfonyl chloride has a molecular weight of 224.68 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroocta-3,5,7-triene-3-sulfonyl chloride is sourced from PubChem (CID 123963654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).