4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol

C13H12F3NO — CID 115047503

IUPAC4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
SMILESOC1CCn2c(cc3cccc(C(F)(F)F)c32)C1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)11-3-1-2-8-6-9-7-10(18)4-5-17(9)12(8)11/h1-3,6,10,18H,4-5,7H2
InChIKeyOGAXUPYAVNWTME-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.97
Rot. Bonds

About 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol

4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol (PubChem CID 115047503) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
PubChem CID115047503
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
SMILESOC1CCn2c(cc3cccc(C(F)(F)F)c32)C1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)11-3-1-2-8-6-9-7-10(18)4-5-17(9)12(8)11/h1-3,6,10,18H,4-5,7H2
InChIKeyOGAXUPYAVNWTME-UHFFFAOYSA-N
XLogP2.97
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
CID 115023942
3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151742
(4-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105488431
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
CID 117196585
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 79885733
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
CID 117196587
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
CID 115047732
(3S)-1-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-ol
CID 107225150
(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 68890167
1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 117003363
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol?
The IUPAC name of 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol (CID 115047503) is 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol.
What is the SMILES notation for 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol?
The canonical SMILES for 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol is OC1CCn2c(cc3cccc(C(F)(F)F)c32)C1.
What is the InChIKey of 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol?
The InChIKey is OGAXUPYAVNWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)11-3-1-2-8-6-9-7-10(18)4-5-17(9)12(8)11/h1-3,6,10,18H,4-5,7H2.
What are the key properties of 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol?
4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol has a molecular weight of 255.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol is sourced from PubChem (CID 115047503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).