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

C11H13ClF3NO2 — CID 155970524

IUPACmethyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride
SMILESCNC(C(=O)OC)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H12F3NO2.ClH/c1-15-9(10(16)17-2)7-3-5-8(6-4-7)11(12,13)14;/h3-6,9,15H,1-2H3;1H
InChIKeyFTOSDLVDCXDUJP-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.56
Rot. Bonds3

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

methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride (PubChem CID 155970524) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride
PubChem CID155970524
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Namemethyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride
SMILESCNC(C(=O)OC)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H12F3NO2.ClH/c1-15-9(10(16)17-2)7-3-5-8(6-4-7)11(12,13)14;/h3-6,9,15H,1-2H3;1H
InChIKeyFTOSDLVDCXDUJP-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride?
The IUPAC name of methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride (CID 155970524) is methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride is CNC(C(=O)OC)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride?
The InChIKey is FTOSDLVDCXDUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2.ClH/c1-15-9(10(16)17-2)7-3-5-8(6-4-7)11(12,13)14;/h3-6,9,15H,1-2H3;1H.
What are the key properties of methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride?
methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride has a molecular weight of 283.68 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate;hydrochloride is sourced from PubChem (CID 155970524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).