4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole

C15H11F2NO — CID 117171394

IUPAC4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
SMILESFc1ccc(OCc2c[nH]c3cccc(F)c23)cc1
InChIInChI=1S/C15H11F2NO/c16-11-4-6-12(7-5-11)19-9-10-8-18-14-3-1-2-13(17)15(10)14/h1-8,18H,9H2
InChIKeyAABXUWPICBZILP-UHFFFAOYSA-N
MW259.26 g/mol
LogP4.03
Rot. Bonds3

About 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole

4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole (PubChem CID 117171394) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
PubChem CID117171394
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
SMILESFc1ccc(OCc2c[nH]c3cccc(F)c23)cc1
InChIInChI=1S/C15H11F2NO/c16-11-4-6-12(7-5-11)19-9-10-8-18-14-3-1-2-13(17)15(10)14/h1-8,18H,9H2
InChIKeyAABXUWPICBZILP-UHFFFAOYSA-N
XLogP4.03
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
CID 117171388
4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
CID 117171335
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
CID 117171390
3-[(4-methylphenoxy)methyl]-1H-indol-4-amine
CID 117171375
3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine
CID 117171412
ethane;(4-fluoro-1H-indol-3-yl)methyl-trimethylazanium
CID 143652752
3,4-difluoro-1H-indole
CID 90939330
3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
CID 117171332

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole?
The IUPAC name of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole (CID 117171394) is 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole.
What is the SMILES notation for 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole?
The canonical SMILES for 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole is Fc1ccc(OCc2c[nH]c3cccc(F)c23)cc1.
What is the InChIKey of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole?
The InChIKey is AABXUWPICBZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-11-4-6-12(7-5-11)19-9-10-8-18-14-3-1-2-13(17)15(10)14/h1-8,18H,9H2.
What are the key properties of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole?
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole has a molecular weight of 259.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole is sourced from PubChem (CID 117171394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).