FWB

3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol

Created:2018-08-03
Last modified:  2018-09-26

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count27
Aromatic Bond Count6
2D diagram of FWB

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Chemical Component Summary

Name3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol
Systematic Name (OpenEye OEToolkits)3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol
FormulaC10 H12 F3 N O
Molecular Weight219.204
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH](N)Cc1cc(O)cc(c1)C(F)(F)F
SMILESOpenEye OEToolkits2.0.6CC(Cc1cc(cc(c1)O)C(F)(F)F)N
Canonical SMILESCACTVS3.385 C[C@H](N)Cc1cc(O)cc(c1)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N
InChIInChI1.03 InChI=1S/C10H12F3NO/c1-6(14)2-7-3-8(10(11,12)13)5-9(15)4-7/h3-6,15H,2,14H2,1H3/t6-/m0/s1
InChIKeyInChI1.03 STNBHVRWYKPOSM-LURJTMIESA-N

Related Resource References

Resource NameReference
PubChem 131614389