1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride

C9H6ClF3O2S — CID 117266607

IUPAC1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride
SMILESC=C(c1cccc(C(F)(F)F)c1)S(=O)(=O)Cl
InChIInChI=1S/C9H6ClF3O2S/c1-6(16(10,14)15)7-3-2-4-8(5-7)9(11,12)13/h2-5H,1H2
InChIKeyYREDSBIHXQEPBV-UHFFFAOYSA-N
MW270.66 g/mol
LogP3.24
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride

1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride (PubChem CID 117266607) has the molecular formula C9H6ClF3O2S and a molecular weight of 270.66 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride
PubChem CID117266607
Molecular FormulaC9H6ClF3O2S
Molecular Weight270.66 g/mol
Exact Mass269.97
IUPAC Name1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride
SMILESC=C(c1cccc(C(F)(F)F)c1)S(=O)(=O)Cl
InChIInChI=1S/C9H6ClF3O2S/c1-6(16(10,14)15)7-3-2-4-8(5-7)9(11,12)13/h2-5H,1H2
InChIKeyYREDSBIHXQEPBV-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]prop-2-enal
CID 117266827
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
bromo 3-(trifluoromethyl)benzoate
CID 121344380
S-(trifluoromethyl) 3-(trifluoromethyl)benzenecarbothioate
CID 132535624

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride (CID 117266607) is 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride is C=C(c1cccc(C(F)(F)F)c1)S(=O)(=O)Cl.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride?
The InChIKey is YREDSBIHXQEPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O2S/c1-6(16(10,14)15)7-3-2-4-8(5-7)9(11,12)13/h2-5H,1H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride?
1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride has a molecular weight of 270.66 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride is sourced from PubChem (CID 117266607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).