tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate

C11H21F3N2O2 — CID 172503243

IUPACtert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)NC(CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-7(2)16-8(11(12,13)14)6-15-9(17)18-10(3,4)5/h7-8,16H,6H2,1-5H3,(H,15,17)
InChIKeyWYNTVUXWESCOCH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate

tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate (PubChem CID 172503243) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate
PubChem CID172503243
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Nametert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)NC(CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-7(2)16-8(11(12,13)14)6-15-9(17)18-10(3,4)5/h7-8,16H,6H2,1-5H3,(H,15,17)
InChIKeyWYNTVUXWESCOCH-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-(2-chloro-2-nitrosoethyl)carbamate
CID 91269741
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
CID 107248523

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate (CID 172503243) is tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate is CC(C)NC(CNC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate?
The InChIKey is WYNTVUXWESCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-7(2)16-8(11(12,13)14)6-15-9(17)18-10(3,4)5/h7-8,16H,6H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate?
tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate has a molecular weight of 270.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 172503243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).