3-fluoro-4-methoxy-1H-indole

C9H8FNO — CID 162696038

IUPAC3-fluoro-4-methoxy-1H-indole
SMILESCOc1cccc2[nH]cc(F)c12
InChIInChI=1S/C9H8FNO/c1-12-8-4-2-3-7-9(8)6(10)5-11-7/h2-5,11H,1H3
InChIKeyATEKMPKTEKRNLO-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.32
Rot. Bonds1

About 3-fluoro-4-methoxy-1H-indole

3-fluoro-4-methoxy-1H-indole (PubChem CID 162696038) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-1H-indole.

Molecular Properties

Compound Name3-fluoro-4-methoxy-1H-indole
PubChem CID162696038
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name3-fluoro-4-methoxy-1H-indole
SMILESCOc1cccc2[nH]cc(F)c12
InChIInChI=1S/C9H8FNO/c1-12-8-4-2-3-7-9(8)6(10)5-11-7/h2-5,11H,1H3
InChIKeyATEKMPKTEKRNLO-UHFFFAOYSA-N
XLogP2.32
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-difluoro-1H-indole
CID 90939330
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
4-methoxy-1H-indole-3-sulfonyl chloride
CID 24749816
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
4-bromo-3-fluoro-1H-indole
CID 66817286
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-1H-indole?
The IUPAC name of 3-fluoro-4-methoxy-1H-indole (CID 162696038) is 3-fluoro-4-methoxy-1H-indole.
What is the SMILES notation for 3-fluoro-4-methoxy-1H-indole?
The canonical SMILES for 3-fluoro-4-methoxy-1H-indole is COc1cccc2[nH]cc(F)c12.
What is the InChIKey of 3-fluoro-4-methoxy-1H-indole?
The InChIKey is ATEKMPKTEKRNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-12-8-4-2-3-7-9(8)6(10)5-11-7/h2-5,11H,1H3.
What are the key properties of 3-fluoro-4-methoxy-1H-indole?
3-fluoro-4-methoxy-1H-indole has a molecular weight of 165.17 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-1H-indole is sourced from PubChem (CID 162696038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).