[5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C19H10F3NO2S — CID 122652969

IUPAC[5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc3[nH]ccc3c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-1-2-13-9(7-10)5-6-23-13/h1-8,23,25H
InChIKeyPDZDSJHULKVPPZ-UHFFFAOYSA-N
MW373.36 g/mol
LogP5.25
Rot. Bonds3

About [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

[5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652969) has the molecular formula C19H10F3NO2S and a molecular weight of 373.36 g/mol. Its IUPAC name is [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652969
Molecular FormulaC19H10F3NO2S
Molecular Weight373.36 g/mol
Exact Mass373.04
IUPAC Name[5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc3[nH]ccc3c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-1-2-13-9(7-10)5-6-23-13/h1-8,23,25H
InChIKeyPDZDSJHULKVPPZ-UHFFFAOYSA-N
XLogP5.25
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.36
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652969) is [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2ccc3[nH]ccc3c2)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is PDZDSJHULKVPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-1-2-13-9(7-10)5-6-23-13/h1-8,23,25H.
What are the key properties of [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 373.36 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).