1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine

C11H15F2NO3S — CID 64537191

IUPAC1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO3S/c1-11(2,14)7-17-8-5-3-4-6-9(8)18(15,16)10(12)13/h3-6,10H,7,14H2,1-2H3
InChIKeyJDWYVMQHKKRYEB-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.80
Rot. Bonds5

About 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine

1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine (PubChem CID 64537191) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine
PubChem CID64537191
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO3S/c1-11(2,14)7-17-8-5-3-4-6-9(8)18(15,16)10(12)13/h3-6,10H,7,14H2,1-2H3
InChIKeyJDWYVMQHKKRYEB-UHFFFAOYSA-N
XLogP1.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine (CID 64537191) is 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine is CC(C)(N)COc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine?
The InChIKey is JDWYVMQHKKRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-11(2,14)7-17-8-5-3-4-6-9(8)18(15,16)10(12)13/h3-6,10H,7,14H2,1-2H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine?
1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 64537191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).