4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole

C11H10F3NO — CID 167505603

IUPAC4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole
SMILESCOc1c(F)cc2[nH]ccc2c1CC(F)F
InChIInChI=1S/C11H10F3NO/c1-16-11-7(4-10(13)14)6-2-3-15-9(6)5-8(11)12/h2-3,5,10,15H,4H2,1H3
InChIKeyOWFXIPFGUZBHTG-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.12
Rot. Bonds3

About 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole

4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole (PubChem CID 167505603) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole
PubChem CID167505603
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole
SMILESCOc1c(F)cc2[nH]ccc2c1CC(F)F
InChIInChI=1S/C11H10F3NO/c1-16-11-7(4-10(13)14)6-2-3-15-9(6)5-8(11)12/h2-3,5,10,15H,4H2,1H3
InChIKeyOWFXIPFGUZBHTG-UHFFFAOYSA-N
XLogP3.12
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole?
The IUPAC name of 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole (CID 167505603) is 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole.
What is the SMILES notation for 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole?
The canonical SMILES for 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole is COc1c(F)cc2[nH]ccc2c1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole?
The InChIKey is OWFXIPFGUZBHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-16-11-7(4-10(13)14)6-2-3-15-9(6)5-8(11)12/h2-3,5,10,15H,4H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole?
4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole has a molecular weight of 229.20 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole is sourced from PubChem (CID 167505603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).