tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate

C10H17F3N2O3 — CID 134417923

IUPACtert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)18-8(17)15-6-7(16)14-5-4-10(11,12)13/h4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyLOTMBABUOQMMDR-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.58
Rot. Bonds4

About tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate (PubChem CID 134417923) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
PubChem CID134417923
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Nametert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)18-8(17)15-6-7(16)14-5-4-10(11,12)13/h4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyLOTMBABUOQMMDR-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-(but-3-ynylamino)-2-oxoethyl]carbamate
CID 56765722
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
tert-butyl N-[2-[2-(3-chloropropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108570337
tert-butyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoate
CID 154932329
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]ethyl N-aminocarbamate
CID 135302900

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate (CID 134417923) is tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCC(F)(F)F.
What is the InChIKey of tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate?
The InChIKey is LOTMBABUOQMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,3)18-8(17)15-6-7(16)14-5-4-10(11,12)13/h4-6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate has a molecular weight of 270.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate is sourced from PubChem (CID 134417923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).