tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate

C12H22F3NO2 — CID 66337048

IUPACtert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCC(C)N(CC(F)(F)F)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F3NO2/c1-8(2)16(7-12(13,14)15)9(3)10(17)18-11(4,5)6/h8-9H,7H2,1-6H3
InChIKeySQCBTRTYTVKXQH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate

tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 66337048) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID66337048
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Nametert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCC(C)N(CC(F)(F)F)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F3NO2/c1-8(2)16(7-12(13,14)15)9(3)10(17)18-11(4,5)6/h8-9H,7H2,1-6H3
InChIKeySQCBTRTYTVKXQH-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
CID 67291803
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712176
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl 2-[bis(3-methylbutyl)amino]propanoate
CID 107870355
tert-butyl 2-fluoropropanoate
CID 91554233
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711396
tert-butyl (2S)-2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 171904778
tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
CID 88706871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate (CID 66337048) is tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate is CC(C)N(CC(F)(F)F)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is SQCBTRTYTVKXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-8(2)16(7-12(13,14)15)9(3)10(17)18-11(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate?
tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 269.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 66337048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).