1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene

C10H10ClF3O3S — CID 141096183

IUPAC1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCS(=O)(=O)c1cccc(Cl)c1COCC(F)(F)F
InChIInChI=1S/C10H10ClF3O3S/c1-18(15,16)9-4-2-3-8(11)7(9)5-17-6-10(12,13)14/h2-4H,5-6H2,1H3
InChIKeyYPVMICIXRHHDSI-UHFFFAOYSA-N
MW302.70 g/mol
LogP2.82
Rot. Bonds4

About 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene

1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene (PubChem CID 141096183) has the molecular formula C10H10ClF3O3S and a molecular weight of 302.70 g/mol. Its IUPAC name is 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene
PubChem CID141096183
Molecular FormulaC10H10ClF3O3S
Molecular Weight302.70 g/mol
Exact Mass302.00
IUPAC Name1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCS(=O)(=O)c1cccc(Cl)c1COCC(F)(F)F
InChIInChI=1S/C10H10ClF3O3S/c1-18(15,16)9-4-2-3-8(11)7(9)5-17-6-10(12,13)14/h2-4H,5-6H2,1H3
InChIKeyYPVMICIXRHHDSI-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene?
The IUPAC name of 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene (CID 141096183) is 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene.
What is the SMILES notation for 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene?
The canonical SMILES for 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene is CS(=O)(=O)c1cccc(Cl)c1COCC(F)(F)F.
What is the InChIKey of 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene?
The InChIKey is YPVMICIXRHHDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O3S/c1-18(15,16)9-4-2-3-8(11)7(9)5-17-6-10(12,13)14/h2-4H,5-6H2,1H3.
What are the key properties of 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene?
1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene has a molecular weight of 302.70 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)benzene is sourced from PubChem (CID 141096183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).