2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline

C11H15F2NO2S — CID 84596699

IUPAC2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline
SMILESCC(C)(CNc1cc(F)ccc1F)S(C)(=O)=O
InChIInChI=1S/C11H15F2NO2S/c1-11(2,17(3,15)16)7-14-10-6-8(12)4-5-9(10)13/h4-6,14H,7H2,1-3H3
InChIKeyHAZIXBYUSAJGHC-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.20
Rot. Bonds4

About 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline

2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline (PubChem CID 84596699) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline
PubChem CID84596699
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline
SMILESCC(C)(CNc1cc(F)ccc1F)S(C)(=O)=O
InChIInChI=1S/C11H15F2NO2S/c1-11(2,17(3,15)16)7-14-10-6-8(12)4-5-9(10)13/h4-6,14H,7H2,1-3H3
InChIKeyHAZIXBYUSAJGHC-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline?
The IUPAC name of 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline (CID 84596699) is 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline is CC(C)(CNc1cc(F)ccc1F)S(C)(=O)=O.
What is the InChIKey of 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline?
The InChIKey is HAZIXBYUSAJGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-11(2,17(3,15)16)7-14-10-6-8(12)4-5-9(10)13/h4-6,14H,7H2,1-3H3.
What are the key properties of 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline?
2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline has a molecular weight of 263.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)aniline is sourced from PubChem (CID 84596699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).