(4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone

C15H9F4NO3S — CID 141206552

IUPAC(4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone
SMILESCc1cc2c(F)c(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)s1
InChIInChI=1S/C15H9F4NO3S/c1-7-6-8-9(2-3-10(21)13(8)16)20(7)14(22)11-4-5-12(24-11)23-15(17,18)19/h2-6,21H,1H3
InChIKeyXFVYABBOUPFKQB-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.44
Rot. Bonds2

About (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone

(4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone (PubChem CID 141206552) has the molecular formula C15H9F4NO3S and a molecular weight of 359.30 g/mol. Its IUPAC name is (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone
PubChem CID141206552
Molecular FormulaC15H9F4NO3S
Molecular Weight359.30 g/mol
Exact Mass359.02
IUPAC Name(4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone
SMILESCc1cc2c(F)c(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)s1
InChIInChI=1S/C15H9F4NO3S/c1-7-6-8-9(2-3-10(21)13(8)16)20(7)14(22)11-4-5-12(24-11)23-15(17,18)19/h2-6,21H,1H3
InChIKeyXFVYABBOUPFKQB-UHFFFAOYSA-N
XLogP4.44
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone?
The IUPAC name of (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone (CID 141206552) is (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone.
What is the SMILES notation for (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone?
The canonical SMILES for (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone is Cc1cc2c(F)c(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)s1.
What is the InChIKey of (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone?
The InChIKey is XFVYABBOUPFKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO3S/c1-7-6-8-9(2-3-10(21)13(8)16)20(7)14(22)11-4-5-12(24-11)23-15(17,18)19/h2-6,21H,1H3.
What are the key properties of (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone?
(4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone has a molecular weight of 359.30 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone is sourced from PubChem (CID 141206552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).