(2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride

C7H8ClF3O2S — CID 162582055

IUPAC(2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride
SMILESC/C=C(\C=C/CC(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C7H8ClF3O2S/c1-2-6(14(8,12)13)4-3-5-7(9,10)11/h2-4H,5H2,1H3/b4-3-,6-2+
InChIKeyYDBNJHQLRZEVBB-FSEBUJBSSA-N
MW248.65 g/mol
LogP2.97
Rot. Bonds3

About (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride

(2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride (PubChem CID 162582055) has the molecular formula C7H8ClF3O2S and a molecular weight of 248.65 g/mol. Its IUPAC name is (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride.

Molecular Properties

Compound Name(2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride
PubChem CID162582055
Molecular FormulaC7H8ClF3O2S
Molecular Weight248.65 g/mol
Exact Mass247.99
IUPAC Name(2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride
SMILESC/C=C(\C=C/CC(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C7H8ClF3O2S/c1-2-6(14(8,12)13)4-3-5-7(9,10)11/h2-4H,5H2,1H3/b4-3-,6-2+
InChIKeyYDBNJHQLRZEVBB-FSEBUJBSSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 52.97
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)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride?
The IUPAC name of (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride (CID 162582055) is (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride.
What is the SMILES notation for (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride?
The canonical SMILES for (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride is C/C=C(\C=C/CC(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride?
The InChIKey is YDBNJHQLRZEVBB-FSEBUJBSSA-N. The full InChI is InChI=1S/C7H8ClF3O2S/c1-2-6(14(8,12)13)4-3-5-7(9,10)11/h2-4H,5H2,1H3/b4-3-,6-2+.
What are the key properties of (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride?
(2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride has a molecular weight of 248.65 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7,7,7-trifluorohepta-2,4-diene-3-sulfonyl chloride is sourced from PubChem (CID 162582055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).