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

C11H21F3N2O2 — CID 103389896

IUPACtert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(15-6-5-11(12,13)14)7-16-9(17)18-10(2,3)4/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyNYGMOCOUGKAJKM-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.44
Rot. Bonds5

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

tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate (PubChem CID 103389896) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
PubChem CID103389896
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Nametert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(15-6-5-11(12,13)14)7-16-9(17)18-10(2,3)4/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyNYGMOCOUGKAJKM-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
CID 107248523
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[2-(3-methylsulfinylpropylamino)propyl]carbamate
CID 103391026
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate (CID 103389896) is tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCCC(F)(F)F.
What is the InChIKey of tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate?
The InChIKey is NYGMOCOUGKAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(15-6-5-11(12,13)14)7-16-9(17)18-10(2,3)4/h8,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate?
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate has a molecular weight of 270.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate is sourced from PubChem (CID 103389896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).