2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole

C14H12FNOS — CID 70855502

IUPAC2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole
SMILESCOc1cccc2cc(-c3cc(F)c(C)s3)[nH]c12
InChIInChI=1S/C14H12FNOS/c1-8-10(15)7-13(18-8)11-6-9-4-3-5-12(17-2)14(9)16-11/h3-7,16H,1-2H3
InChIKeyWFTASVBVPUTGJC-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.35
Rot. Bonds2

About 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole

2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole (PubChem CID 70855502) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole.

Molecular Properties

Compound Name2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole
PubChem CID70855502
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole
SMILESCOc1cccc2cc(-c3cc(F)c(C)s3)[nH]c12
InChIInChI=1S/C14H12FNOS/c1-8-10(15)7-13(18-8)11-6-9-4-3-5-12(17-2)14(9)16-11/h3-7,16H,1-2H3
InChIKeyWFTASVBVPUTGJC-UHFFFAOYSA-N
XLogP4.35
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole?
The IUPAC name of 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole (CID 70855502) is 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole.
What is the SMILES notation for 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole?
The canonical SMILES for 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole is COc1cccc2cc(-c3cc(F)c(C)s3)[nH]c12.
What is the InChIKey of 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole?
The InChIKey is WFTASVBVPUTGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-8-10(15)7-13(18-8)11-6-9-4-3-5-12(17-2)14(9)16-11/h3-7,16H,1-2H3.
What are the key properties of 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole?
2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole has a molecular weight of 261.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole is sourced from PubChem (CID 70855502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).