1H-indol-5-ol;2,2,2-trifluoroacetic acid

C10H8F3NO3 — CID 162071647

IUPAC1H-indol-5-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7NO.C2HF3O2/c10-7-1-2-8-6(5-7)3-4-9-8;3-2(4,5)1(6)7/h1-5,9-10H;(H,6,7)
InChIKeyZBDYIGGQMTZKCE-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.51
Rot. Bonds

About 1H-indol-5-ol;2,2,2-trifluoroacetic acid

1H-indol-5-ol;2,2,2-trifluoroacetic acid (PubChem CID 162071647) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1H-indol-5-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-indol-5-ol;2,2,2-trifluoroacetic acid
PubChem CID162071647
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name1H-indol-5-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7NO.C2HF3O2/c10-7-1-2-8-6(5-7)3-4-9-8;3-2(4,5)1(6)7/h1-5,9-10H;(H,6,7)
InChIKeyZBDYIGGQMTZKCE-UHFFFAOYSA-N
XLogP2.51
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
1H-indol-6-ol;naphthalene-2-carboxylic acid
CID 159876966
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one
CID 123719151
5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 175889277
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
N-(2-chloro-4-hydroxyphenyl)-1H-indole-5-carboxamide
CID 64786778
5-hydroxy-1-(1H-indol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18703922
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
(Z)-2,4-dihydroxy-4-(1H-indol-5-yl)but-2-enoic acid
CID 141265593
(E)-2,4-dihydroxy-4-(1H-indol-5-yl)but-2-enoic acid
CID 141342745

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-indol-5-ol;2,2,2-trifluoroacetic acid (CID 162071647) is 1H-indol-5-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-indol-5-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-indol-5-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ZBDYIGGQMTZKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C2HF3O2/c10-7-1-2-8-6(5-7)3-4-9-8;3-2(4,5)1(6)7/h1-5,9-10H;(H,6,7).
What are the key properties of 1H-indol-5-ol;2,2,2-trifluoroacetic acid?
1H-indol-5-ol;2,2,2-trifluoroacetic acid has a molecular weight of 247.17 g/mol, XLogP of 2.51, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162071647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).