(Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride

C15H21FO2S — CID 173488141

IUPAC(Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride
SMILESC/C(=C/CCCc1ccc(C)c(C)c1C)S(=O)(=O)F
InChIInChI=1S/C15H21FO2S/c1-11-9-10-15(14(4)13(11)3)8-6-5-7-12(2)19(16,17)18/h7,9-10H,5-6,8H2,1-4H3/b12-7-
InChIKeyKXYINMFAGNUTGH-GHXNOFRVSA-N
MW284.40 g/mol
LogP4.14
Rot. Bonds5

About (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride

(Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride (PubChem CID 173488141) has the molecular formula C15H21FO2S and a molecular weight of 284.40 g/mol. Its IUPAC name is (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride.

Molecular Properties

Compound Name(Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride
PubChem CID173488141
Molecular FormulaC15H21FO2S
Molecular Weight284.40 g/mol
Exact Mass284.12
IUPAC Name(Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride
SMILESC/C(=C/CCCc1ccc(C)c(C)c1C)S(=O)(=O)F
InChIInChI=1S/C15H21FO2S/c1-11-9-10-15(14(4)13(11)3)8-6-5-7-12(2)19(16,17)18/h7,9-10H,5-6,8H2,1-4H3/b12-7-
InChIKeyKXYINMFAGNUTGH-GHXNOFRVSA-N
XLogP4.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride?
The IUPAC name of (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride (CID 173488141) is (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride.
What is the SMILES notation for (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride?
The canonical SMILES for (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride is C/C(=C/CCCc1ccc(C)c(C)c1C)S(=O)(=O)F.
What is the InChIKey of (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride?
The InChIKey is KXYINMFAGNUTGH-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H21FO2S/c1-11-9-10-15(14(4)13(11)3)8-6-5-7-12(2)19(16,17)18/h7,9-10H,5-6,8H2,1-4H3/b12-7-.
What are the key properties of (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride?
(Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride has a molecular weight of 284.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2,3,4-trimethylphenyl)hex-2-ene-2-sulfonyl fluoride is sourced from PubChem (CID 173488141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).