2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride

C10H10ClF3O3S — CID 114827543

IUPAC2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride
SMILESCOCc1ccccc1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C10H10ClF3O3S/c1-17-6-7-4-2-3-5-8(7)9(10(12,13)14)18(11,15)16/h2-5,9H,6H2,1H3
InChIKeyJVJAOYWWGPQDFZ-UHFFFAOYSA-N
MW302.70 g/mol
LogP3.01
Rot. Bonds4

About 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride

2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride (PubChem CID 114827543) has the molecular formula C10H10ClF3O3S and a molecular weight of 302.70 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride
PubChem CID114827543
Molecular FormulaC10H10ClF3O3S
Molecular Weight302.70 g/mol
Exact Mass302.00
IUPAC Name2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride
SMILESCOCc1ccccc1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C10H10ClF3O3S/c1-17-6-7-4-2-3-5-8(7)9(10(12,13)14)18(11,15)16/h2-5,9H,6H2,1H3
InChIKeyJVJAOYWWGPQDFZ-UHFFFAOYSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.70
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride (CID 114827543) is 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride is COCc1ccccc1C(C(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride?
The InChIKey is JVJAOYWWGPQDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O3S/c1-17-6-7-4-2-3-5-8(7)9(10(12,13)14)18(11,15)16/h2-5,9H,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride?
2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride has a molecular weight of 302.70 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride is sourced from PubChem (CID 114827543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).