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

C10H17F3N2O3 — CID 60859368

IUPAC2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)C(CC(C)C)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-6(2)4-7(8(16)14-3)15-9(17)18-5-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyBUPLMNMPIKPANU-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.44
Rot. Bonds5

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

2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (PubChem CID 60859368) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
PubChem CID60859368
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)C(CC(C)C)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-6(2)4-7(8(16)14-3)15-9(17)18-5-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyBUPLMNMPIKPANU-UHFFFAOYSA-N
XLogP1.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 61068823
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 142714214
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 47407232
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
CID 11099595
benzyl N-[(2R)-4-amino-1-[[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 7224871
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
3-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 60706861

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (CID 60859368) is 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is CNC(=O)C(CC(C)C)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The InChIKey is BUPLMNMPIKPANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-6(2)4-7(8(16)14-3)15-9(17)18-5-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate has a molecular weight of 270.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 60859368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).