8-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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Basic information
- CAS
907566-27-2- Standard SMILES
FC(F)(F)Oc1ccc2[nH]c3c(c2c1)CNCC3- InChIKey
YMIMDJBSJBNETN-UHFFFAOYSA-N- Molecular formula
- C12H11F3N2O
- Average molar mass
- 256.22 g/mol
Names & identifiers
- Preferred name
- 8-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 8-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- English name
- 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole
- Molecular formula
- C12H11F3N2O
- Molecular weight
- 256.22
Names & synonyms
907566-27-28-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole8-(TRIFLUOROMETHOXY)-1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOLE2,3,4,5-TETRAHYDRO-8-TRIFLUOROMETHOXY-1H-PYRIDO[4,3-B]INDOLEMFCD05663534starbld0034474SCHEMBL2969674YMIMDJBSJBNETN-UHFFFAOYSA-NAKOS005584291AB21877CCG-327708SY523546
Show more names
OTAVA-BB 10899681H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-(trifluoromethoxy)-
VS-09766CS-0330389D78554
Database identifiers
- CAS
907566-27-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 344.4 · 344.4±37.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 16.83 · 16.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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