2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine

C11H16F2N2O2S — CID 63194149

IUPAC2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O2S/c1-11(2,7-14)15-8-5-3-4-6-9(8)18(16,17)10(12)13/h3-6,10,15H,7,14H2,1-2H3
InChIKeyJDWMVKAOULDQSA-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.83
Rot. Bonds5

About 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine

2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine (PubChem CID 63194149) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
PubChem CID63194149
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O2S/c1-11(2,7-14)15-8-5-3-4-6-9(8)18(16,17)10(12)13/h3-6,10,15H,7,14H2,1-2H3
InChIKeyJDWMVKAOULDQSA-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine (CID 63194149) is 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine is CC(C)(CN)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine?
The InChIKey is JDWMVKAOULDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-11(2,7-14)15-8-5-3-4-6-9(8)18(16,17)10(12)13/h3-6,10,15H,7,14H2,1-2H3.
What are the key properties of 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine?
2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine has a molecular weight of 278.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 63194149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).