N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3NO3S — CID 78883663

IUPACN-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CS(=O)(=O)CC(C)C
InChIInChI=1S/C10H18F3NO3S/c1-4-14(7-10(11,12)13)9(15)6-18(16,17)5-8(2)3/h8H,4-7H2,1-3H3
InChIKeyBDJAAVIFDGWTFT-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.47
Rot. Bonds6

About N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78883663) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78883663
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC NameN-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CS(=O)(=O)CC(C)C
InChIInChI=1S/C10H18F3NO3S/c1-4-14(7-10(11,12)13)9(15)6-18(16,17)5-8(2)3/h8H,4-7H2,1-3H3
InChIKeyBDJAAVIFDGWTFT-UHFFFAOYSA-N
XLogP1.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78883663) is N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CS(=O)(=O)CC(C)C.
What is the InChIKey of N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BDJAAVIFDGWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-4-14(7-10(11,12)13)9(15)6-18(16,17)5-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78883663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).