1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol

C9H10F3NO — CID 168842247

IUPAC1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)13-5-4-6-7(13)2-1-3-8(6)14/h4-5,8,14H,1-3H2
InChIKeyGMWPYYSVVSVNJB-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.33
Rot. Bonds

About 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol

1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 168842247) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID168842247
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)13-5-4-6-7(13)2-1-3-8(6)14/h4-5,8,14H,1-3H2
InChIKeyGMWPYYSVVSVNJB-UHFFFAOYSA-N
XLogP2.33
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-Pyrrol-1-yl)phenyl]methanol
CID 599478
(1-methyl-1H-indol-4-yl)methanol
CID 17608739
[1-[[3-(Trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
CID 16738801
1-(6-(Trifluoromethyl)pyridin-3-yl)ethanol
CID 49760380
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-ethyl-
CID 21217
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-methyl-
CID 39131
[1-[(4-Fluorophenyl)methyl]indol-3-yl]methanol
CID 15312694
[1-[(3-Fluorophenyl)methyl]indol-3-yl]methanol
CID 20109672
((R)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-1-yl)-methanol
CID 44329093
((R)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-2-yl)-methanol
CID 44329097
{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}methanol
CID 52950960
(2R,3S)-1-[3-(2-hydroxyethyl)indol-1-yl]-2-methyl-4-methylidenenonan-3-ol
CID 57406608

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (CID 168842247) is 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is GMWPYYSVVSVNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)13-5-4-6-7(13)2-1-3-8(6)14/h4-5,8,14H,1-3H2.
What are the key properties of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 205.18 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 168842247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).