1,3-difluoro-6-methoxy-2-phenylindole

C15H11F2NO — CID 174663176

IUPAC1,3-difluoro-6-methoxy-2-phenylindole
SMILESCOc1ccc2c(F)c(-c3ccccc3)n(F)c2c1
InChIInChI=1S/C15H11F2NO/c1-19-11-7-8-12-13(9-11)18(17)15(14(12)16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyAGIADPLRQOZFIH-UHFFFAOYSA-N
MW259.26 g/mol
LogP4.19
Rot. Bonds2

About 1,3-difluoro-6-methoxy-2-phenylindole

1,3-difluoro-6-methoxy-2-phenylindole (PubChem CID 174663176) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 1,3-difluoro-6-methoxy-2-phenylindole.

Molecular Properties

Compound Name1,3-difluoro-6-methoxy-2-phenylindole
PubChem CID174663176
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1,3-difluoro-6-methoxy-2-phenylindole
SMILESCOc1ccc2c(F)c(-c3ccccc3)n(F)c2c1
InChIInChI=1S/C15H11F2NO/c1-19-11-7-8-12-13(9-11)18(17)15(14(12)16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyAGIADPLRQOZFIH-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-6-methoxy-2-phenylindole?
The IUPAC name of 1,3-difluoro-6-methoxy-2-phenylindole (CID 174663176) is 1,3-difluoro-6-methoxy-2-phenylindole.
What is the SMILES notation for 1,3-difluoro-6-methoxy-2-phenylindole?
The canonical SMILES for 1,3-difluoro-6-methoxy-2-phenylindole is COc1ccc2c(F)c(-c3ccccc3)n(F)c2c1.
What is the InChIKey of 1,3-difluoro-6-methoxy-2-phenylindole?
The InChIKey is AGIADPLRQOZFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c1-19-11-7-8-12-13(9-11)18(17)15(14(12)16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 1,3-difluoro-6-methoxy-2-phenylindole?
1,3-difluoro-6-methoxy-2-phenylindole 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-6-methoxy-2-phenylindole is sourced from PubChem (CID 174663176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).