4-fluoro-1-methyl-2-thiophen-2-ylindole

C13H10FNS — CID 15768508

IUPAC4-fluoro-1-methyl-2-thiophen-2-ylindole
SMILESCn1c(-c2cccs2)cc2c(F)cccc21
InChIInChI=1S/C13H10FNS/c1-15-11-5-2-4-10(14)9(11)8-12(15)13-6-3-7-16-13/h2-8H,1H3
InChIKeyBWRSIMDKEPRHKV-UHFFFAOYSA-N
MW231.30 g/mol
LogP4.05
Rot. Bonds1

About 4-fluoro-1-methyl-2-thiophen-2-ylindole

4-fluoro-1-methyl-2-thiophen-2-ylindole (PubChem CID 15768508) has the molecular formula C13H10FNS and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-thiophen-2-ylindole.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-thiophen-2-ylindole
PubChem CID15768508
Molecular FormulaC13H10FNS
Molecular Weight231.30 g/mol
Exact Mass231.05
IUPAC Name4-fluoro-1-methyl-2-thiophen-2-ylindole
SMILESCn1c(-c2cccs2)cc2c(F)cccc21
InChIInChI=1S/C13H10FNS/c1-15-11-5-2-4-10(14)9(11)8-12(15)13-6-3-7-16-13/h2-8H,1H3
InChIKeyBWRSIMDKEPRHKV-UHFFFAOYSA-N
XLogP4.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-thiophen-2-ylindole?
The IUPAC name of 4-fluoro-1-methyl-2-thiophen-2-ylindole (CID 15768508) is 4-fluoro-1-methyl-2-thiophen-2-ylindole.
What is the SMILES notation for 4-fluoro-1-methyl-2-thiophen-2-ylindole?
The canonical SMILES for 4-fluoro-1-methyl-2-thiophen-2-ylindole is Cn1c(-c2cccs2)cc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methyl-2-thiophen-2-ylindole?
The InChIKey is BWRSIMDKEPRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNS/c1-15-11-5-2-4-10(14)9(11)8-12(15)13-6-3-7-16-13/h2-8H,1H3.
What are the key properties of 4-fluoro-1-methyl-2-thiophen-2-ylindole?
4-fluoro-1-methyl-2-thiophen-2-ylindole has a molecular weight of 231.30 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-thiophen-2-ylindole is sourced from PubChem (CID 15768508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).