1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine

C12H17F2NO2S — CID 116790963

IUPAC1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO2S/c1-11(2,15)8-18(16,17)9-12(13,14)10-6-4-3-5-7-10/h3-7H,8-9,15H2,1-2H3
InChIKeyRGCUVKBRWSOQAB-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.93
Rot. Bonds5

About 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine

1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine (PubChem CID 116790963) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine
PubChem CID116790963
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO2S/c1-11(2,15)8-18(16,17)9-12(13,14)10-6-4-3-5-7-10/h3-7H,8-9,15H2,1-2H3
InChIKeyRGCUVKBRWSOQAB-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine (CID 116790963) is 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine is CC(C)(N)CS(=O)(=O)CC(F)(F)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
The InChIKey is RGCUVKBRWSOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-11(2,15)8-18(16,17)9-12(13,14)10-6-4-3-5-7-10/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine is sourced from PubChem (CID 116790963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).