1,3-difluoro-2-(4-methoxyphenyl)indole

C15H11F2NO — CID 175894161

IUPAC1,3-difluoro-2-(4-methoxyphenyl)indole
SMILESCOc1ccc(-c2c(F)c3ccccc3n2F)cc1
InChIInChI=1S/C15H11F2NO/c1-19-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18(15)17/h2-9H,1H3
InChIKeySHFSINPLDZKOKG-UHFFFAOYSA-N
MW259.26 g/mol
LogP4.19
Rot. Bonds2

About 1,3-difluoro-2-(4-methoxyphenyl)indole

1,3-difluoro-2-(4-methoxyphenyl)indole (PubChem CID 175894161) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 1,3-difluoro-2-(4-methoxyphenyl)indole.

Molecular Properties

Compound Name1,3-difluoro-2-(4-methoxyphenyl)indole
PubChem CID175894161
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1,3-difluoro-2-(4-methoxyphenyl)indole
SMILESCOc1ccc(-c2c(F)c3ccccc3n2F)cc1
InChIInChI=1S/C15H11F2NO/c1-19-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18(15)17/h2-9H,1H3
InChIKeySHFSINPLDZKOKG-UHFFFAOYSA-N
XLogP4.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(4-methoxyphenyl)indole?
The IUPAC name of 1,3-difluoro-2-(4-methoxyphenyl)indole (CID 175894161) is 1,3-difluoro-2-(4-methoxyphenyl)indole.
What is the SMILES notation for 1,3-difluoro-2-(4-methoxyphenyl)indole?
The canonical SMILES for 1,3-difluoro-2-(4-methoxyphenyl)indole is COc1ccc(-c2c(F)c3ccccc3n2F)cc1.
What is the InChIKey of 1,3-difluoro-2-(4-methoxyphenyl)indole?
The InChIKey is SHFSINPLDZKOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c1-19-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18(15)17/h2-9H,1H3.
What are the key properties of 1,3-difluoro-2-(4-methoxyphenyl)indole?
1,3-difluoro-2-(4-methoxyphenyl)indole has a molecular weight of 259.26 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(4-methoxyphenyl)indole is sourced from PubChem (CID 175894161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).