5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole

C13H14FNO — CID 135083705

IUPAC5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole
SMILESC=CCOCc1cc2cc(F)ccc2n1C
InChIInChI=1S/C13H14FNO/c1-3-6-16-9-12-8-10-7-11(14)4-5-13(10)15(12)2/h3-5,7-8H,1,6,9H2,2H3
InChIKeyAUOIDIMLUAHXNS-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.02
Rot. Bonds4

About 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole

5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole (PubChem CID 135083705) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole
PubChem CID135083705
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole
SMILESC=CCOCc1cc2cc(F)ccc2n1C
InChIInChI=1S/C13H14FNO/c1-3-6-16-9-12-8-10-7-11(14)4-5-13(10)15(12)2/h3-5,7-8H,1,6,9H2,2H3
InChIKeyAUOIDIMLUAHXNS-UHFFFAOYSA-N
XLogP3.02
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole?
The IUPAC name of 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole (CID 135083705) is 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole.
What is the SMILES notation for 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole?
The canonical SMILES for 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole is C=CCOCc1cc2cc(F)ccc2n1C.
What is the InChIKey of 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole?
The InChIKey is AUOIDIMLUAHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-6-16-9-12-8-10-7-11(14)4-5-13(10)15(12)2/h3-5,7-8H,1,6,9H2,2H3.
What are the key properties of 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole?
5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole has a molecular weight of 219.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-(prop-2-enoxymethyl)indole is sourced from PubChem (CID 135083705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).