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

C13H19F6N3O4 — CID 12066939

IUPACtert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F
InChIInChI=1S/C13H19F6N3O4/c1-11(2,3)26-10(25)22(6-4-20-8(23)12(14,15)16)7-5-21-9(24)13(17,18)19/h4-7H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySWGSTLPUUCLPQU-UHFFFAOYSA-N
MW395.30 g/mol
LogP1.58
Rot. Bonds6

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

tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (PubChem CID 12066939) has the molecular formula C13H19F6N3O4 and a molecular weight of 395.30 g/mol. Its IUPAC name is tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
PubChem CID12066939
Molecular FormulaC13H19F6N3O4
Molecular Weight395.30 g/mol
Exact Mass395.13
IUPAC Nametert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F
InChIInChI=1S/C13H19F6N3O4/c1-11(2,3)26-10(25)22(6-4-20-8(23)12(14,15)16)7-5-21-9(24)13(17,18)19/h4-7H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySWGSTLPUUCLPQU-UHFFFAOYSA-N
XLogP1.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (CID 12066939) is tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The InChIKey is SWGSTLPUUCLPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6N3O4/c1-11(2,3)26-10(25)22(6-4-20-8(23)12(14,15)16)7-5-21-9(24)13(17,18)19/h4-7H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate has a molecular weight of 395.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is sourced from PubChem (CID 12066939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).