5-fluoro-2-(methoxymethyl)-1-methylindole

C11H12FNO — CID 117176892

IUPAC5-fluoro-2-(methoxymethyl)-1-methylindole
SMILESCOCc1cc2cc(F)ccc2n1C
InChIInChI=1S/C11H12FNO/c1-13-10(7-14-2)6-8-5-9(12)3-4-11(8)13/h3-6H,7H2,1-2H3
InChIKeyFXBDCOBBSDCUTA-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.46
Rot. Bonds2

About 5-fluoro-2-(methoxymethyl)-1-methylindole

5-fluoro-2-(methoxymethyl)-1-methylindole (PubChem CID 117176892) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-fluoro-2-(methoxymethyl)-1-methylindole.

Molecular Properties

Compound Name5-fluoro-2-(methoxymethyl)-1-methylindole
PubChem CID117176892
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name5-fluoro-2-(methoxymethyl)-1-methylindole
SMILESCOCc1cc2cc(F)ccc2n1C
InChIInChI=1S/C11H12FNO/c1-13-10(7-14-2)6-8-5-9(12)3-4-11(8)13/h3-6H,7H2,1-2H3
InChIKeyFXBDCOBBSDCUTA-UHFFFAOYSA-N
XLogP2.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
2-(methoxymethyl)-1,6-dimethylindole
CID 117185979
methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate
CID 170884498
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
CID 117176642
2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
CID 117176717
(5-fluoro-1-methylindol-2-yl)-trimethylsilane
CID 177390478
5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864165
3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
CID 83859983

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methoxymethyl)-1-methylindole?
The IUPAC name of 5-fluoro-2-(methoxymethyl)-1-methylindole (CID 117176892) is 5-fluoro-2-(methoxymethyl)-1-methylindole.
What is the SMILES notation for 5-fluoro-2-(methoxymethyl)-1-methylindole?
The canonical SMILES for 5-fluoro-2-(methoxymethyl)-1-methylindole is COCc1cc2cc(F)ccc2n1C.
What is the InChIKey of 5-fluoro-2-(methoxymethyl)-1-methylindole?
The InChIKey is FXBDCOBBSDCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-10(7-14-2)6-8-5-9(12)3-4-11(8)13/h3-6H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-(methoxymethyl)-1-methylindole?
5-fluoro-2-(methoxymethyl)-1-methylindole has a molecular weight of 193.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methoxymethyl)-1-methylindole is sourced from PubChem (CID 117176892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).