1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide

C7H11F6NO2S — CID 166024428

IUPAC1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(N(C)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO2S/c1-4(2)5(6(8,9)10)14(3)17(15,16)7(11,12)13/h4-5H,1-3H3
InChIKeyWHEBWCJBKXIKRV-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.35
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide

1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide (PubChem CID 166024428) has the molecular formula C7H11F6NO2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide
PubChem CID166024428
Molecular FormulaC7H11F6NO2S
Molecular Weight287.23 g/mol
Exact Mass287.04
IUPAC Name1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(N(C)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO2S/c1-4(2)5(6(8,9)10)14(3)17(15,16)7(11,12)13/h4-5H,1-3H3
InChIKeyWHEBWCJBKXIKRV-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
CID 14663454
(2S)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 12022731
2-(Propan-2-yl)-1-(trifluoromethanesulfonyl)aziridine
CID 23251553
(2R)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 87665109
1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide
CID 118301706
N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 126630314
N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 166024445
N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide
CID 166024449
1,1,1-trifluoro-N-methyl-N-pentan-3-ylmethanesulfonamide
CID 167105593

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide (CID 166024428) is 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide is CC(C)C(N(C)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is WHEBWCJBKXIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO2S/c1-4(2)5(6(8,9)10)14(3)17(15,16)7(11,12)13/h4-5H,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 287.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 166024428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).