1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole

C17H15F2NO — CID 117177258

IUPAC1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
SMILESCCn1c(COc2cccc(F)c2)cc2cc(F)ccc21
InChIInChI=1S/C17H15F2NO/c1-2-20-15(9-12-8-14(19)6-7-17(12)20)11-21-16-5-3-4-13(18)10-16/h3-10H,2,11H2,1H3
InChIKeyPCMWVJASOBNCKG-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.52
Rot. Bonds4

About 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole

1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole (PubChem CID 117177258) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
PubChem CID117177258
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
SMILESCCn1c(COc2cccc(F)c2)cc2cc(F)ccc21
InChIInChI=1S/C17H15F2NO/c1-2-20-15(9-12-8-14(19)6-7-17(12)20)11-21-16-5-3-4-13(18)10-16/h3-10H,2,11H2,1H3
InChIKeyPCMWVJASOBNCKG-UHFFFAOYSA-N
XLogP4.52
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
CID 117180685
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole?
The IUPAC name of 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole (CID 117177258) is 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole is CCn1c(COc2cccc(F)c2)cc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole?
The InChIKey is PCMWVJASOBNCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-20-15(9-12-8-14(19)6-7-17(12)20)11-21-16-5-3-4-13(18)10-16/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole?
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole has a molecular weight of 287.31 g/mol, XLogP of 4.52, 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-[(3-fluorophenoxy)methyl]indole is sourced from PubChem (CID 117177258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).