1-ethyl-5-fluoro-2-(phenoxymethyl)indole

C17H16FNO — CID 117177203

IUPAC1-ethyl-5-fluoro-2-(phenoxymethyl)indole
SMILESCCn1c(COc2ccccc2)cc2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-2-19-15(12-20-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)19/h3-11H,2,12H2,1H3
InChIKeyVQOZVXHPIHHLQV-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.38
Rot. Bonds4

About 1-ethyl-5-fluoro-2-(phenoxymethyl)indole

1-ethyl-5-fluoro-2-(phenoxymethyl)indole (PubChem CID 117177203) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-(phenoxymethyl)indole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-(phenoxymethyl)indole
PubChem CID117177203
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-ethyl-5-fluoro-2-(phenoxymethyl)indole
SMILESCCn1c(COc2ccccc2)cc2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-2-19-15(12-20-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)19/h3-11H,2,12H2,1H3
InChIKeyVQOZVXHPIHHLQV-UHFFFAOYSA-N
XLogP4.38
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-(phenoxymethyl)indole?
The IUPAC name of 1-ethyl-5-fluoro-2-(phenoxymethyl)indole (CID 117177203) is 1-ethyl-5-fluoro-2-(phenoxymethyl)indole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-(phenoxymethyl)indole?
The canonical SMILES for 1-ethyl-5-fluoro-2-(phenoxymethyl)indole is CCn1c(COc2ccccc2)cc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-(phenoxymethyl)indole?
The InChIKey is VQOZVXHPIHHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-2-19-15(12-20-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)19/h3-11H,2,12H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-2-(phenoxymethyl)indole?
1-ethyl-5-fluoro-2-(phenoxymethyl)indole has a molecular weight of 269.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-(phenoxymethyl)indole is sourced from PubChem (CID 117177203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).