methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate

C11H12F3NO2 — CID 60997518

IUPACmethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO2/c1-17-10(16)9(15-7-11(12,13)14)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3
InChIKeyNHPHGLWPGCPZNB-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate

methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 60997518) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID60997518
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Namemethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO2/c1-17-10(16)9(15-7-11(12,13)14)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3
InChIKeyNHPHGLWPGCPZNB-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892807
methyl 2-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54893180
methyl 2-(3,4-dibromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 114077400
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
methyl 2-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)acetate
CID 65173497
methyl 2-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66480986
methyl 2-(3-bromo-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892475
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2-methylpropanoic acid
CID 62110684
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate (CID 60997518) is methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is NHPHGLWPGCPZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-10(16)9(15-7-11(12,13)14)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3.
What are the key properties of methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 247.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 60997518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).