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

C11H16F6N2O3 — CID 86650775

IUPACtert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C11H16F6N2O3/c1-9(2,3)22-8(21)18-4-5-19(6-10(12,13)14)7(20)11(15,16)17/h4-6H2,1-3H3,(H,18,21)
InChIKeyNOENLWSMARAIGG-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.46
Rot. Bonds4

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

tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate (PubChem CID 86650775) has the molecular formula C11H16F6N2O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate
PubChem CID86650775
Molecular FormulaC11H16F6N2O3
Molecular Weight338.25 g/mol
Exact Mass338.11
IUPAC Nametert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C11H16F6N2O3/c1-9(2,3)22-8(21)18-4-5-19(6-10(12,13)14)7(20)11(15,16)17/h4-6H2,1-3H3,(H,18,21)
InChIKeyNOENLWSMARAIGG-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[(2-chloroacetyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
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tert-butyl N,N-bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate (CID 86650775) is tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate?
The InChIKey is NOENLWSMARAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O3/c1-9(2,3)22-8(21)18-4-5-19(6-10(12,13)14)7(20)11(15,16)17/h4-6H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate has a molecular weight of 338.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate is sourced from PubChem (CID 86650775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).