[3-(trifluoromethyl)phenyl]methanesulfonyl chloride

C8H6ClF3O2S — CID 2794646

IUPAC[3-(trifluoromethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKeyWIGCBGFBBRJTLS-UHFFFAOYSA-N
MW258.65 g/mol
LogP2.77
Rot. Bonds2

About [3-(trifluoromethyl)phenyl]methanesulfonyl chloride

[3-(trifluoromethyl)phenyl]methanesulfonyl chloride (PubChem CID 2794646) has the molecular formula C8H6ClF3O2S and a molecular weight of 258.65 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methanesulfonyl chloride
PubChem CID2794646
Molecular FormulaC8H6ClF3O2S
Molecular Weight258.65 g/mol
Exact Mass257.97
IUPAC Name[3-(trifluoromethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKeyWIGCBGFBBRJTLS-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(trifluoromethyl)phenyl]methanesulfonyl chloride (CID 2794646) is [3-(trifluoromethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The InChIKey is WIGCBGFBBRJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2.
What are the key properties of [3-(trifluoromethyl)phenyl]methanesulfonyl chloride?
[3-(trifluoromethyl)phenyl]methanesulfonyl chloride has a molecular weight of 258.65 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 2794646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).