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

C10H10F3NO2 — CID 18442492

IUPACmethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,14H2,1H3
InChIKeyISMPUIZSHQXQDU-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.88
Rot. Bonds2

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

methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 18442492) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID18442492
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,14H2,1H3
InChIKeyISMPUIZSHQXQDU-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.88
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-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate (CID 18442492) is methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate is COC(=O)C(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is ISMPUIZSHQXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,14H2,1H3.
What are the key properties of methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate?
methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 233.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 18442492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).