4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole

C17H15F2NO — CID 169116640

IUPAC4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole
SMILESCOC(C)c1ccc(-c2c(F)cc3[nH]ccc3c2F)cc1
InChIInChI=1S/C17H15F2NO/c1-10(21-2)11-3-5-12(6-4-11)16-14(18)9-15-13(17(16)19)7-8-20-15/h3-10,20H,1-2H3
InChIKeyVWDMXRVXOPGYIY-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.82
Rot. Bonds3

About 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole

4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole (PubChem CID 169116640) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole.

Molecular Properties

Compound Name4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole
PubChem CID169116640
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole
SMILESCOC(C)c1ccc(-c2c(F)cc3[nH]ccc3c2F)cc1
InChIInChI=1S/C17H15F2NO/c1-10(21-2)11-3-5-12(6-4-11)16-14(18)9-15-13(17(16)19)7-8-20-15/h3-10,20H,1-2H3
InChIKeyVWDMXRVXOPGYIY-UHFFFAOYSA-N
XLogP4.82
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole?
The IUPAC name of 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole (CID 169116640) is 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole.
What is the SMILES notation for 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole?
The canonical SMILES for 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole is COC(C)c1ccc(-c2c(F)cc3[nH]ccc3c2F)cc1.
What is the InChIKey of 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole?
The InChIKey is VWDMXRVXOPGYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-10(21-2)11-3-5-12(6-4-11)16-14(18)9-15-13(17(16)19)7-8-20-15/h3-10,20H,1-2H3.
What are the key properties of 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole?
4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole has a molecular weight of 287.31 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-[4-(1-methoxyethyl)phenyl]-1H-indole is sourced from PubChem (CID 169116640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).