tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride

C8H15ClF3NO2 — CID 134690891

IUPACtert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(C)(N)C(F)(F)F.Cl
InChIInChI=1S/C8H14F3NO2.ClH/c1-6(2,3)14-5(13)7(4,12)8(9,10)11;/h12H2,1-4H3;1H
InChIKeyZOPFCPBOJVVLRL-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride

tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride (PubChem CID 134690891) has the molecular formula C8H15ClF3NO2 and a molecular weight of 249.66 g/mol. Its IUPAC name is tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride
PubChem CID134690891
Molecular FormulaC8H15ClF3NO2
Molecular Weight249.66 g/mol
Exact Mass249.07
IUPAC Nametert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(C)(N)C(F)(F)F.Cl
InChIInChI=1S/C8H14F3NO2.ClH/c1-6(2,3)14-5(13)7(4,12)8(9,10)11;/h12H2,1-4H3;1H
InChIKeyZOPFCPBOJVVLRL-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672018
propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798173
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 15613838
butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798085
tert-butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 71673045
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl 4,4,5,5,5-pentafluoro-2-hydroxy-2-methylpentanoate
CID 162347615
ditert-butyl 2-amino-2-[[[2-amino-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopropyl]disulfanyl]methyl]propanedioate
CID 165146605
tert-butyl 2-amino-2-cyclopropylpropanoate
CID 18379175
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride?
The IUPAC name of tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride (CID 134690891) is tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride.
What is the SMILES notation for tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride?
The canonical SMILES for tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride is CC(C)(C)OC(=O)C(C)(N)C(F)(F)F.Cl.
What is the InChIKey of tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride?
The InChIKey is ZOPFCPBOJVVLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2.ClH/c1-6(2,3)14-5(13)7(4,12)8(9,10)11;/h12H2,1-4H3;1H.
What are the key properties of tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride?
tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride has a molecular weight of 249.66 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 134690891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).