(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride

C11H10ClF3O2S — CID 117267958

IUPAC(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C\Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10ClF3O2S/c12-18(16,17)8-2-1-3-9-4-6-10(7-5-9)11(13,14)15/h1-2,4-7H,3,8H2/b2-1-
InChIKeyFFBIVFKBBDETOJ-UPHRSURJSA-N
MW298.71 g/mol
LogP3.37
Rot. Bonds4

About (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride

(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride (PubChem CID 117267958) has the molecular formula C11H10ClF3O2S and a molecular weight of 298.71 g/mol. Its IUPAC name is (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride
PubChem CID117267958
Molecular FormulaC11H10ClF3O2S
Molecular Weight298.71 g/mol
Exact Mass298.00
IUPAC Name(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C\Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10ClF3O2S/c12-18(16,17)8-2-1-3-9-4-6-10(7-5-9)11(13,14)15/h1-2,4-7H,3,8H2/b2-1-
InChIKeyFFBIVFKBBDETOJ-UPHRSURJSA-N
XLogP3.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79592722
N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79590324
(Z)-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid
CID 115007362
[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117380123
dideuterio-[4-(trifluoromethyl)phenyl]methanesulfonic acid
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CID 157091649
1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene
CID 67680891
ethyl 4-[(E)-10-[4-(trifluoromethyl)benzoyl]oxydec-2-enyl]benzoate
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N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
diethyl-heptyl-[4-[4-(trifluoromethyl)phenyl]but-2-enyl]azanium chloride
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4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
1-(trifluoromethyl)-4-(3,3,3-trifluoropropylsulfonylmethyl)benzene
CID 86059305

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride (CID 117267958) is (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)C/C=C\Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride?
The InChIKey is FFBIVFKBBDETOJ-UPHRSURJSA-N. The full InChI is InChI=1S/C11H10ClF3O2S/c12-18(16,17)8-2-1-3-9-4-6-10(7-5-9)11(13,14)15/h1-2,4-7H,3,8H2/b2-1-.
What are the key properties of (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride?
(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride has a molecular weight of 298.71 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 117267958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).