methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride

C11H13ClF3NO2 — CID 155971293

IUPACmethyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H12F3NO2.ClH/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)11(12,13)14;/h2-5,9H,6,15H2,1H3;1H/t9-;/m1./s1
InChIKeyYYHSKEJSOBUGNR-SBSPUUFOSA-N
MW283.68 g/mol
LogP2.69
Rot. Bonds3

About methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride

methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride (PubChem CID 155971293) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride
PubChem CID155971293
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Namemethyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H12F3NO2.ClH/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)11(12,13)14;/h2-5,9H,6,15H2,1H3;1H/t9-;/m1./s1
InChIKeyYYHSKEJSOBUGNR-SBSPUUFOSA-N
XLogP2.69
TPSA52.32 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride (CID 155971293) is methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride is COC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride?
The InChIKey is YYHSKEJSOBUGNR-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H12F3NO2.ClH/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)11(12,13)14;/h2-5,9H,6,15H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride?
methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride has a molecular weight of 283.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoate;hydrochloride is sourced from PubChem (CID 155971293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).