[4-(trifluoromethoxy)phenyl]methanesulfonyl chloride

C8H6ClF3O3S — CID 18072683

IUPAC[4-(trifluoromethoxy)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6ClF3O3S/c9-16(13,14)5-6-1-3-7(4-2-6)15-8(10,11)12/h1-4H,5H2
InChIKeyPMHRLICMFSITAR-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.65
Rot. Bonds3

About [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride

[4-(trifluoromethoxy)phenyl]methanesulfonyl chloride (PubChem CID 18072683) has the molecular formula C8H6ClF3O3S and a molecular weight of 274.65 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]methanesulfonyl chloride
PubChem CID18072683
Molecular FormulaC8H6ClF3O3S
Molecular Weight274.65 g/mol
Exact Mass273.97
IUPAC Name[4-(trifluoromethoxy)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6ClF3O3S/c9-16(13,14)5-6-1-3-7(4-2-6)15-8(10,11)12/h1-4H,5H2
InChIKeyPMHRLICMFSITAR-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride?
The IUPAC name of [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride (CID 18072683) is [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride?
The InChIKey is PMHRLICMFSITAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O3S/c9-16(13,14)5-6-1-3-7(4-2-6)15-8(10,11)12/h1-4H,5H2.
What are the key properties of [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride?
[4-(trifluoromethoxy)phenyl]methanesulfonyl chloride has a molecular weight of 274.65 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 18072683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).