A1ABA

[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol

Created:	2024-01-04
Last modified:	2024-01-24

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1 entries where A1ABA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of A1ABA

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Chemical Component Summary
Name	[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol
Systematic Name (OpenEye OEToolkits)	[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol
Formula	C₁₂ H₁₄ F₃ N O₂
Molecular Weight	261.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1
SMILES	CACTVS	3.385	OCc1cc(ccc1N2CCOCC2)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(F)(F)F)CO)N2CCOCC2
Canonical SMILES	CACTVS	3.385	OCc1cc(ccc1N2CCOCC2)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(F)(F)F)CO)N2CCOCC2
InChI	InChI	1.06	InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
InChIKey	InChI	1.06	KYVJYGRFMSNHDV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18525883

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