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

C8H14F3NO3S — CID 78865471

IUPACN-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H14F3NO3S/c1-3-12(6-8(9,10)11)7(13)4-5-16(2,14)15/h3-6H2,1-2H3
InChIKeyCCQYXQPBQQRYQM-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.83
Rot. Bonds5

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

N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78865471) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78865471
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC NameN-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H14F3NO3S/c1-3-12(6-8(9,10)11)7(13)4-5-16(2,14)15/h3-6H2,1-2H3
InChIKeyCCQYXQPBQQRYQM-UHFFFAOYSA-N
XLogP0.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide
CID 75403162
1-(4,4-Difluoropiperidin-1-yl)-3-methylsulfonylpropan-1-one
CID 131909577
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
2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethanesulfonate
CID 140799778
N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
CID 142294702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78865471) is N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CCQYXQPBQQRYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-3-12(6-8(9,10)11)7(13)4-5-16(2,14)15/h3-6H2,1-2H3.
What are the key properties of N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 261.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78865471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).