(2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride

C7H8ClFO2S — CID 118303821

IUPAC(2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride
SMILESC=C(F)/C=C\C(=C/C)S(=O)(=O)Cl
InChIInChI=1S/C7H8ClFO2S/c1-3-7(12(8,10)11)5-4-6(2)9/h3-5H,2H2,1H3/b5-4-,7-3+
InChIKeyDGRQQSLRAVUMFN-SBYNAHCQSA-N
MW210.66 g/mol
LogP2.50
Rot. Bonds3

About (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride

(2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride (PubChem CID 118303821) has the molecular formula C7H8ClFO2S and a molecular weight of 210.66 g/mol. Its IUPAC name is (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride.

Molecular Properties

Compound Name(2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride
PubChem CID118303821
Molecular FormulaC7H8ClFO2S
Molecular Weight210.66 g/mol
Exact Mass209.99
IUPAC Name(2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride
SMILESC=C(F)/C=C\C(=C/C)S(=O)(=O)Cl
InChIInChI=1S/C7H8ClFO2S/c1-3-7(12(8,10)11)5-4-6(2)9/h3-5H,2H2,1H3/b5-4-,7-3+
InChIKeyDGRQQSLRAVUMFN-SBYNAHCQSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.50
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 (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride?
The IUPAC name of (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride (CID 118303821) is (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride.
What is the SMILES notation for (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride?
The canonical SMILES for (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride is C=C(F)/C=C\C(=C/C)S(=O)(=O)Cl.
What is the InChIKey of (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride?
The InChIKey is DGRQQSLRAVUMFN-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H8ClFO2S/c1-3-7(12(8,10)11)5-4-6(2)9/h3-5H,2H2,1H3/b5-4-,7-3+.
What are the key properties of (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride?
(2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride has a molecular weight of 210.66 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-fluorohepta-2,4,6-triene-3-sulfonyl chloride is sourced from PubChem (CID 118303821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).