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

C12H17F2NO3S — CID 64572152

IUPAC1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-12(2,15)8-18-9-6-4-5-7-10(9)19(16,17)11(13)14/h4-7,11H,3,8,15H2,1-2H3
InChIKeyWQUPHRQEAHZVSI-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.19
Rot. Bonds6

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

1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine (PubChem CID 64572152) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine
PubChem CID64572152
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-12(2,15)8-18-9-6-4-5-7-10(9)19(16,17)11(13)14/h4-7,11H,3,8,15H2,1-2H3
InChIKeyWQUPHRQEAHZVSI-UHFFFAOYSA-N
XLogP2.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.19
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-methylbutan-2-amine?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine (CID 64572152) is 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine is CCC(C)(N)COc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine?
The InChIKey is WQUPHRQEAHZVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-3-12(2,15)8-18-9-6-4-5-7-10(9)19(16,17)11(13)14/h4-7,11H,3,8,15H2,1-2H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine?
1-[2-(difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.19, 6 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-methylbutan-2-amine is sourced from PubChem (CID 64572152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).