(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride

C7H8ClF3O2S — CID 134448892

IUPAC(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride
SMILESC/C=C\C(=C/CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C7H8ClF3O2S/c1-2-3-6(7(9,10)11)4-5-14(8,12)13/h2-4H,5H2,1H3/b3-2-,6-4+
InChIKeyZXLJGSZXIJVDKI-MGLVMYNNSA-N
MW248.65 g/mol
LogP2.62
Rot. Bonds3

About (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride

(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride (PubChem CID 134448892) has the molecular formula C7H8ClF3O2S and a molecular weight of 248.65 g/mol. Its IUPAC name is (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride
PubChem CID134448892
Molecular FormulaC7H8ClF3O2S
Molecular Weight248.65 g/mol
Exact Mass247.99
IUPAC Name(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride
SMILESC/C=C\C(=C/CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C7H8ClF3O2S/c1-2-3-6(7(9,10)11)4-5-14(8,12)13/h2-4H,5H2,1H3/b3-2-,6-4+
InChIKeyZXLJGSZXIJVDKI-MGLVMYNNSA-N
XLogP2.62
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 ≤ 52.62
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)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride?
The IUPAC name of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride (CID 134448892) is (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride.
What is the SMILES notation for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride?
The canonical SMILES for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride is C/C=C\C(=C/CS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride?
The InChIKey is ZXLJGSZXIJVDKI-MGLVMYNNSA-N. The full InChI is InChI=1S/C7H8ClF3O2S/c1-2-3-6(7(9,10)11)4-5-14(8,12)13/h2-4H,5H2,1H3/b3-2-,6-4+.
What are the key properties of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride?
(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride has a molecular weight of 248.65 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1-sulfonyl chloride is sourced from PubChem (CID 134448892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).