N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

C10H18F3NO3S — CID 78883992

IUPACN-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18F3NO3S/c1-3-4-6-14(8-10(11,12)13)9(15)5-7-18(2,16)17/h3-8H2,1-2H3
InChIKeyNCDASSGCGSXQLU-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.61
Rot. Bonds7

About N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78883992) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78883992
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC NameN-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18F3NO3S/c1-3-4-6-14(8-10(11,12)13)9(15)5-7-18(2,16)17/h3-8H2,1-2H3
InChIKeyNCDASSGCGSXQLU-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-Difluoropiperidin-1-yl)-3-methylsulfonylpropan-1-one
CID 131909577
1-[3-(2,2-Difluoroethyl)azetidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 136548828
2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-(2-sulfanylidenepropyl)acetamide
CID 21303219
1-(3,3,3-Trifluoro-1-methylsulfonylpropyl)pyrrolidin-2-one
CID 25029675
N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide
CID 25029677
N-(4-bromobutyl)-N-(2-methanesulfonylethyl)-2,2,2-trifluoroacetamide
CID 54156798
N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide
CID 58100574
1-[3,4-Bis(methylsulfonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 87828209
3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
CID 134298731
1-[3-(Trifluoromethylsulfonyl)propyl]pyrrolidin-2-one
CID 140119574
ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide
CID 155701897
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78883992) is N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NCDASSGCGSXQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-3-4-6-14(8-10(11,12)13)9(15)5-7-18(2,16)17/h3-8H2,1-2H3.
What are the key properties of N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 289.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78883992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).