1-(2,6-difluorophenyl)-2-methylsulfonylethenamine

C9H9F2NO2S — CID 23992930

IUPAC1-(2,6-difluorophenyl)-2-methylsulfonylethenamine
SMILESCS(=O)(=O)C=C(N)c1c(F)cccc1F
InChIInChI=1S/C9H9F2NO2S/c1-15(13,14)5-8(12)9-6(10)3-2-4-7(9)11/h2-5H,12H2,1H3
InChIKeyBHCQYNNIMSUZGT-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.27
Rot. Bonds2

About 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine

1-(2,6-difluorophenyl)-2-methylsulfonylethenamine (PubChem CID 23992930) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-methylsulfonylethenamine
PubChem CID23992930
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC Name1-(2,6-difluorophenyl)-2-methylsulfonylethenamine
SMILESCS(=O)(=O)C=C(N)c1c(F)cccc1F
InChIInChI=1S/C9H9F2NO2S/c1-15(13,14)5-8(12)9-6(10)3-2-4-7(9)11/h2-5H,12H2,1H3
InChIKeyBHCQYNNIMSUZGT-UHFFFAOYSA-N
XLogP1.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine (CID 23992930) is 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine is CS(=O)(=O)C=C(N)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine?
The InChIKey is BHCQYNNIMSUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c1-15(13,14)5-8(12)9-6(10)3-2-4-7(9)11/h2-5H,12H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine?
1-(2,6-difluorophenyl)-2-methylsulfonylethenamine has a molecular weight of 233.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-methylsulfonylethenamine is sourced from PubChem (CID 23992930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).