2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate

C11H19F3N2O3 — CID 61068823

IUPAC2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OCC(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C11H19F3N2O3/c1-7(2)5-8(9(17)16(3)4)15-10(18)19-6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,18)
InChIKeyLJRCQKDFXXOWDJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.78
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate

2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 61068823) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID61068823
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OCC(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C11H19F3N2O3/c1-7(2)5-8(9(17)16(3)4)15-10(18)19-6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,18)
InChIKeyLJRCQKDFXXOWDJ-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 60859368
2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
CID 115426173
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
CID 103928611
2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 71672142
2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699936
2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 142714214
methyl 3-methyl-2-(2,2,2-trifluoroethoxycarbonylamino)butanoate
CID 65168435
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888
3-methyl-2-(2,2,2-trifluoroethoxycarbonylamino)butanoate
CID 140799780
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934393
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide
CID 62852895

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate (CID 61068823) is 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OCC(F)(F)F)C(=O)N(C)C.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is LJRCQKDFXXOWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(2)5-8(9(17)16(3)4)15-10(18)19-6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,18).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 284.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 61068823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).