methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate

C16H14F3NO2 — CID 66813762

IUPACmethyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(N)(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-22-14(21)15(20,11-5-3-2-4-6-11)12-7-9-13(10-8-12)16(17,18)19/h2-10H,20H2,1H3
InChIKeyORJBYGMOGLBYGI-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.08
Rot. Bonds3

About methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate

methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 66813762) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID66813762
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Namemethyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(N)(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-22-14(21)15(20,11-5-3-2-4-6-11)12-7-9-13(10-8-12)16(17,18)19/h2-10H,20H2,1H3
InChIKeyORJBYGMOGLBYGI-UHFFFAOYSA-N
XLogP3.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate (CID 66813762) is methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate is COC(=O)C(N)(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is ORJBYGMOGLBYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-22-14(21)15(20,11-5-3-2-4-6-11)12-7-9-13(10-8-12)16(17,18)19/h2-10H,20H2,1H3.
What are the key properties of methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate?
methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 309.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-phenyl-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 66813762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).