[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone

C21H16FNO2S — CID 1290594

IUPAC[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C21H16FNO2S/c22-17-7-2-4-9-19(17)25-12-11-23-14-16(15-6-1-3-8-18(15)23)21(24)20-10-5-13-26-20/h1-10,13-14H,11-12H2
InChIKeyNLNAGYYZVXKDRY-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.15
Rot. Bonds6

About [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone

[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone (PubChem CID 1290594) has the molecular formula C21H16FNO2S and a molecular weight of 365.43 g/mol. Its IUPAC name is [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
PubChem CID1290594
Molecular FormulaC21H16FNO2S
Molecular Weight365.43 g/mol
Exact Mass365.09
IUPAC Name[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C21H16FNO2S/c22-17-7-2-4-9-19(17)25-12-11-23-14-16(15-6-1-3-8-18(15)23)21(24)20-10-5-13-26-20/h1-10,13-14H,11-12H2
InChIKeyNLNAGYYZVXKDRY-UHFFFAOYSA-N
XLogP5.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone (CID 1290594) is [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cn(CCOc2ccccc2F)c2ccccc12.
What is the InChIKey of [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is NLNAGYYZVXKDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2S/c22-17-7-2-4-9-19(17)25-12-11-23-14-16(15-6-1-3-8-18(15)23)21(24)20-10-5-13-26-20/h1-10,13-14H,11-12H2.
What are the key properties of [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 365.43 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1290594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).