[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride

C11H19ClF3NO2 — CID 175824560

IUPAC[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)OCC1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C11H18F3NO2.ClH/c1-7(15)10(16)17-6-8-2-4-9(5-3-8)11(12,13)14;/h7-9H,2-6,15H2,1H3;1H/t7-,8?,9?;/m0./s1
InChIKeyGEXTZNJZYQTNSP-OPLYHSBCSA-N
MW289.72 g/mol
LogP2.67
Rot. Bonds3

About [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride

[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride (PubChem CID 175824560) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.72 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride
PubChem CID175824560
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.72 g/mol
Exact Mass289.11
IUPAC Name[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)OCC1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C11H18F3NO2.ClH/c1-7(15)10(16)17-6-8-2-4-9(5-3-8)11(12,13)14;/h7-9H,2-6,15H2,1H3;1H/t7-,8?,9?;/m0./s1
InChIKeyGEXTZNJZYQTNSP-OPLYHSBCSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride (CID 175824560) is [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride is C[C@H](N)C(=O)OCC1CCC(C(F)(F)F)CC1.Cl.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is GEXTZNJZYQTNSP-OPLYHSBCSA-N. The full InChI is InChI=1S/C11H18F3NO2.ClH/c1-7(15)10(16)17-6-8-2-4-9(5-3-8)11(12,13)14;/h7-9H,2-6,15H2,1H3;1H/t7-,8?,9?;/m0./s1.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride?
[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 289.72 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 175824560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).