3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol

C11H11F3N2O — CID 84737251

IUPAC3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
SMILESNCC(c1c[nH]c2ccc(O)cc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9(4-15)8-5-16-10-2-1-6(17)3-7(8)10/h1-3,5,9,16-17H,4,15H2
InChIKeyOJMNCGLFOVMLPI-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.48
Rot. Bonds2

About 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol

3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol (PubChem CID 84737251) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
PubChem CID84737251
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
SMILESNCC(c1c[nH]c2ccc(O)cc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9(4-15)8-5-16-10-2-1-6(17)3-7(8)10/h1-3,5,9,16-17H,4,15H2
InChIKeyOJMNCGLFOVMLPI-UHFFFAOYSA-N
XLogP2.48
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
3-[2-amino-1-(ethylamino)ethyl]-1H-indol-5-ol
CID 141212916
3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
CID 139526498
3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 155565501
2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
CID 84737103
3-fluoro-1H-indol-5-ol
CID 105429509
3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
CID 102450414
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(1-fluoroethyl)-1H-indol-6-ol
CID 84656821

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol?
The IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol (CID 84737251) is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol.
What is the SMILES notation for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol?
The canonical SMILES for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol is NCC(c1c[nH]c2ccc(O)cc12)C(F)(F)F.
What is the InChIKey of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol?
The InChIKey is OJMNCGLFOVMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9(4-15)8-5-16-10-2-1-6(17)3-7(8)10/h1-3,5,9,16-17H,4,15H2.
What are the key properties of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol?
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol has a molecular weight of 244.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol is sourced from PubChem (CID 84737251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).