2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride

C9H8ClF3O2S — CID 82160200

IUPAC2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8ClF3O2S/c10-16(14,15)6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2
InChIKeyTVYWWRSPBWVOHJ-UHFFFAOYSA-N
MW272.68 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride

2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride (PubChem CID 82160200) has the molecular formula C9H8ClF3O2S and a molecular weight of 272.68 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride
PubChem CID82160200
Molecular FormulaC9H8ClF3O2S
Molecular Weight272.68 g/mol
Exact Mass271.99
IUPAC Name2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8ClF3O2S/c10-16(14,15)6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2
InChIKeyTVYWWRSPBWVOHJ-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride (CID 82160200) is 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride is O=S(=O)(Cl)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride?
The InChIKey is TVYWWRSPBWVOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2S/c10-16(14,15)6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride?
2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride has a molecular weight of 272.68 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride is sourced from PubChem (CID 82160200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).