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

C10H11ClF3NO2 — CID 18526119

IUPACmethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H10F3NO2.ClH/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13;/h2-5,8H,14H2,1H3;1H
InChIKeyOJQJUZZRIPUIBP-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.30
Rot. Bonds2

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

methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride (PubChem CID 18526119) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride
PubChem CID18526119
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Namemethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H10F3NO2.ClH/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13;/h2-5,8H,14H2,1H3;1H
InChIKeyOJQJUZZRIPUIBP-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.30
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;hydrochloride?
The IUPAC name of methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride (CID 18526119) is methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride is COC(=O)C(N)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride?
The InChIKey is OJQJUZZRIPUIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2.ClH/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13;/h2-5,8H,14H2,1H3;1H.
What are the key properties of methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride?
methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride has a molecular weight of 269.65 g/mol, XLogP of 2.30, 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;hydrochloride is sourced from PubChem (CID 18526119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).