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8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline

8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline

CAS: 860786-84-1

Formula: C12H13F3N2

SMILES: FC(F)(F)C1=CC2=C(NCC3CCCN23)C=C1

IUPAC: 8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline

InChI: InChI=1/C12H13F3N2/c13-12(14,15)8-3-4-10-11(6-8)17-5-1-2-9(17)7-16-10/h3-4,6,9,16H,1-2,5,7H2

Composition: C (59.50%), H (5.41%), F (23.53%), N (11.56%)

Molar Mass: 242.245

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 242.103082916
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OMYRTCMROMLKSB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.9
Topological Polar Surface Area 15.27
Polarizability 21.46
Ring Count 3
Rotatable Bond Count 1

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