(2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride

C7H9ClF2O2S — CID 134449009

IUPAC(2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride
SMILESCC/C(F)=C\C(=C/CF)S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2O2S/c1-2-6(10)5-7(3-4-9)13(8,11)12/h3,5H,2,4H2,1H3/b6-5+,7-3+
InChIKeyHXJQENFBJCPVEZ-SIZYMYPJSA-N
MW230.66 g/mol
LogP2.67
Rot. Bonds4

About (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride

(2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride (PubChem CID 134449009) has the molecular formula C7H9ClF2O2S and a molecular weight of 230.66 g/mol. Its IUPAC name is (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride.

Molecular Properties

Compound Name(2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride
PubChem CID134449009
Molecular FormulaC7H9ClF2O2S
Molecular Weight230.66 g/mol
Exact Mass230.00
IUPAC Name(2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride
SMILESCC/C(F)=C\C(=C/CF)S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2O2S/c1-2-6(10)5-7(3-4-9)13(8,11)12/h3,5H,2,4H2,1H3/b6-5+,7-3+
InChIKeyHXJQENFBJCPVEZ-SIZYMYPJSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.67
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 (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride?
The IUPAC name of (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride (CID 134449009) is (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride.
What is the SMILES notation for (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride?
The canonical SMILES for (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride is CC/C(F)=C\C(=C/CF)S(=O)(=O)Cl.
What is the InChIKey of (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride?
The InChIKey is HXJQENFBJCPVEZ-SIZYMYPJSA-N. The full InChI is InChI=1S/C7H9ClF2O2S/c1-2-6(10)5-7(3-4-9)13(8,11)12/h3,5H,2,4H2,1H3/b6-5+,7-3+.
What are the key properties of (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride?
(2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride has a molecular weight of 230.66 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,5-difluorohepta-2,4-diene-3-sulfonyl chloride is sourced from PubChem (CID 134449009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).