tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate

C12H21F3N2O3 — CID 130272799

IUPACtert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCN(CC(F)(F)F)C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21F3N2O3/c1-6-17(7-12(13,14)15)9(18)8(2)16-10(19)20-11(3,4)5/h8H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1
InChIKeyISIJRCVUGIHKDD-MRVPVSSYSA-N
MW298.31 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 130272799) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID130272799
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Nametert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCN(CC(F)(F)F)C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21F3N2O3/c1-6-17(7-12(13,14)15)9(18)8(2)16-10(19)20-11(3,4)5/h8H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1
InChIKeyISIJRCVUGIHKDD-MRVPVSSYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate (CID 130272799) is tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate is CCN(CC(F)(F)F)C(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is ISIJRCVUGIHKDD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-6-17(7-12(13,14)15)9(18)8(2)16-10(19)20-11(3,4)5/h8H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 298.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[ethyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 130272799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).