methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride

C7H13ClF3NO2 — CID 170911098

IUPACmethyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CC(C)C(F)(F)F.Cl
InChIInChI=1S/C7H12F3NO2.ClH/c1-4(7(8,9)10)3-5(11)6(12)13-2;/h4-5H,3,11H2,1-2H3;1H/t4?,5-;/m1./s1
InChIKeyOQENSDSSVBGLEX-VVNPLDQHSA-N
MW235.63 g/mol
LogP1.50
Rot. Bonds3

About methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride

methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride (PubChem CID 170911098) has the molecular formula C7H13ClF3NO2 and a molecular weight of 235.63 g/mol. Its IUPAC name is methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
PubChem CID170911098
Molecular FormulaC7H13ClF3NO2
Molecular Weight235.63 g/mol
Exact Mass235.06
IUPAC Namemethyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CC(C)C(F)(F)F.Cl
InChIInChI=1S/C7H12F3NO2.ClH/c1-4(7(8,9)10)3-5(11)6(12)13-2;/h4-5H,3,11H2,1-2H3;1H/t4?,5-;/m1./s1
InChIKeyOQENSDSSVBGLEX-VVNPLDQHSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride (CID 170911098) is methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride is COC(=O)[C@H](N)CC(C)C(F)(F)F.Cl.
What is the InChIKey of methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride?
The InChIKey is OQENSDSSVBGLEX-VVNPLDQHSA-N. The full InChI is InChI=1S/C7H12F3NO2.ClH/c1-4(7(8,9)10)3-5(11)6(12)13-2;/h4-5H,3,11H2,1-2H3;1H/t4?,5-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride?
methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride has a molecular weight of 235.63 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 170911098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).