(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

C8H14F3NO3S — CID 130294141

IUPAC(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESC[C@H](CCS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-6(3-4-16(2,14)15)7(13)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyTUMXHXUMMWFSQF-ZCFIWIBFSA-N
MW261.26 g/mol
LogP0.74
Rot. Bonds5

About (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 130294141) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID130294141
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESC[C@H](CCS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-6(3-4-16(2,14)15)7(13)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyTUMXHXUMMWFSQF-ZCFIWIBFSA-N
XLogP0.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Difluoro-2-[2-(2-methylbutanoylamino)ethylamino]-2-oxoethanesulfonate
CID 58332629
N,2-dimethyl-2-(3,3,4,4,4-pentafluorobutylsulfonyl)-4-(trifluoromethylsulfanyl)butanamide
CID 87315722
2-fluoro-3-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)butanamide
CID 89469314
N-[3,3-bis(trifluoromethylsulfonyl)propyl]-2,2-dimethylbutanamide
CID 89707091
N-[5,5-bis(trifluoromethylsulfonyl)pentyl]-2-methylbutanamide
CID 89707095
N-[3,3-bis(trifluoromethylsulfonyl)propyl]-2-methylbutanamide
CID 89707097
2,2-dimethyl-N-[3-methyl-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707108
2-methyl-N-[3-methyl-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707112
2-methyl-N-[1,1,1-trifluoro-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707129
2,2,2-trifluoro-N-(2-methyl-2-methylsulfonylbutyl)acetamide
CID 117953814
2,2,2-trifluoro-N-(4-methylsulfonylbutyl)acetamide
CID 129217708
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 130294141) is (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is C[C@H](CCS(C)(=O)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is TUMXHXUMMWFSQF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-6(3-4-16(2,14)15)7(13)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 261.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 130294141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).