propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate

C7H12F3NO2 — CID 79798173

IUPACpropan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)13-5(12)6(3,11)7(8,9)10/h4H,11H2,1-3H3
InChIKeyCVVWHPFGYLJQAN-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.22
Rot. Bonds2

About propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate

propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 79798173) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
PubChem CID79798173
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namepropan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)13-5(12)6(3,11)7(8,9)10/h4H,11H2,1-3H3
InChIKeyCVVWHPFGYLJQAN-UHFFFAOYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate (CID 79798173) is propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate is CC(C)OC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is CVVWHPFGYLJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(2)13-5(12)6(3,11)7(8,9)10/h4H,11H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 199.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 79798173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).