tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

C10H17F3N2O3 — CID 10635722

IUPACtert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)18-8(17)15(4)6-5-14-7(16)10(11,12)13/h5-6H2,1-4H3,(H,14,16)
InChIKeyOVWJCRHTOOMQSD-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (PubChem CID 10635722) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
PubChem CID10635722
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Nametert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)18-8(17)15(4)6-5-14-7(16)10(11,12)13/h5-6H2,1-4H3,(H,14,16)
InChIKeyOVWJCRHTOOMQSD-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (CID 10635722) is tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is CN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The InChIKey is OVWJCRHTOOMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,3)18-8(17)15(4)6-5-14-7(16)10(11,12)13/h5-6H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate has a molecular weight of 270.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is sourced from PubChem (CID 10635722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).