7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole

C16H13F2NO — CID 117183717

IUPAC7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
SMILESCn1c(COc2ccc(F)cc2)cc2cccc(F)c21
InChIInChI=1S/C16H13F2NO/c1-19-13(9-11-3-2-4-15(18)16(11)19)10-20-14-7-5-12(17)6-8-14/h2-9H,10H2,1H3
InChIKeyCBQDYDSNQDBTGD-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.04
Rot. Bonds3

About 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole

7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole (PubChem CID 117183717) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole.

Molecular Properties

Compound Name7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
PubChem CID117183717
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
SMILESCn1c(COc2ccc(F)cc2)cc2cccc(F)c21
InChIInChI=1S/C16H13F2NO/c1-19-13(9-11-3-2-4-15(18)16(11)19)10-20-14-7-5-12(17)6-8-14/h2-9H,10H2,1H3
InChIKeyCBQDYDSNQDBTGD-UHFFFAOYSA-N
XLogP4.04
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
CID 117186521
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
CID 117183745
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
4-fluoro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173305
7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole
CID 117184143
2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117183684
2-ethyl-7-methoxy-1-methylindole
CID 84662166
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole?
The IUPAC name of 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole (CID 117183717) is 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole.
What is the SMILES notation for 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole?
The canonical SMILES for 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole is Cn1c(COc2ccc(F)cc2)cc2cccc(F)c21.
What is the InChIKey of 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole?
The InChIKey is CBQDYDSNQDBTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-19-13(9-11-3-2-4-15(18)16(11)19)10-20-14-7-5-12(17)6-8-14/h2-9H,10H2,1H3.
What are the key properties of 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole?
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole has a molecular weight of 273.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole is sourced from PubChem (CID 117183717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).