[4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride

C11H19ClF3NO2 — CID 162724745

IUPAC[4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)(N)C(=O)OC1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C11H18F3NO2.ClH/c1-10(2,15)9(16)17-8-5-3-7(4-6-8)11(12,13)14;/h7-8H,3-6,15H2,1-2H3;1H
InChIKeyZMKJQNKZBVMNHB-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.81
Rot. Bonds2

About [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride

[4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride (PubChem CID 162724745) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.73 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride
PubChem CID162724745
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.73 g/mol
Exact Mass289.11
IUPAC Name[4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)(N)C(=O)OC1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C11H18F3NO2.ClH/c1-10(2,15)9(16)17-8-5-3-7(4-6-8)11(12,13)14;/h7-8H,3-6,15H2,1-2H3;1H
InChIKeyZMKJQNKZBVMNHB-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethyl)cyclohexyl] (2S)-2-aminopropanoate
CID 156835232
[4-(trifluoromethyl)cyclohexyl] (2R)-2-aminopropanoate
CID 156835419
(4,4-Difluorocyclohexyl)methyl 2-(chloroamino)-2-methylpropanoate
CID 162724619
(4,4-Difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride
CID 162724768
(2-Ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79797905
(3-Methylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798178
(3-Ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798341
(3,5-Dimethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798427
(3,4-Dimethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798514
Cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798595
(3,3,5-Trimethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79799049
(4-Methylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79799144

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride (CID 162724745) is [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride is CC(C)(N)C(=O)OC1CCC(C(F)(F)F)CC1.Cl.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride?
The InChIKey is ZMKJQNKZBVMNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2.ClH/c1-10(2,15)9(16)17-8-5-3-7(4-6-8)11(12,13)14;/h7-8H,3-6,15H2,1-2H3;1H.
What are the key properties of [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride?
[4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 162724745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).