T21

2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one

Created:	2015-03-04
Last modified:	2015-09-23

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1 entries where T21 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

2D diagram of T21

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Chemical Component Summary
Name	2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one
Systematic Name (OpenEye OEToolkits)	2-[3-(trifluoromethyl)phenyl]-5H-furo[3,2-c]pyridin-4-one
Formula	C₁₄ H₈ F₃ N O₂
Molecular Weight	279.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3=Cc2c(cc(c1cccc(C(F)(F)F)c1)o2)C(N3)=O
SMILES	CACTVS	3.385	FC(F)(F)c1cccc(c1)c2oc3C=CNC(=O)c3c2
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1cccc(c1)c2oc3C=CNC(=O)c3c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O
InChI	InChI	1.03	InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19)
InChIKey	InChI	1.03	ICVXPLDIRPNIOG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4338928

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