[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium

C11H19F3NO2+ — CID 166023241

IUPAC[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)OCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-7(15)10(16)17-6-8-2-4-9(5-3-8)11(12,13)14/h7-9H,2-6,15H2,1H3/p+1/t7-,8?,9?/m0/s1
InChIKeyOCLQGQMKEJYZRT-UEJVZZJDSA-O
MW254.27 g/mol
LogP1.53
Rot. Bonds3

About [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium

[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium (PubChem CID 166023241) has the molecular formula C11H19F3NO2+ and a molecular weight of 254.27 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium
PubChem CID166023241
Molecular FormulaC11H19F3NO2+
Molecular Weight254.27 g/mol
Exact Mass254.14
IUPAC Name[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)OCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-7(15)10(16)17-6-8-2-4-9(5-3-8)11(12,13)14/h7-9H,2-6,15H2,1H3/p+1/t7-,8?,9?/m0/s1
InChIKeyOCLQGQMKEJYZRT-UEJVZZJDSA-O
XLogP1.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium?
The IUPAC name of [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium (CID 166023241) is [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium?
The canonical SMILES for [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium is C[C@H]([NH3+])C(=O)OCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium?
The InChIKey is OCLQGQMKEJYZRT-UEJVZZJDSA-O. The full InChI is InChI=1S/C11H18F3NO2/c1-7(15)10(16)17-6-8-2-4-9(5-3-8)11(12,13)14/h7-9H,2-6,15H2,1H3/p+1/t7-,8?,9?/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium?
[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium has a molecular weight of 254.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium is sourced from PubChem (CID 166023241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).