3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole

C20H28F2N2O2 — CID 177026521

IUPAC3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole
SMILESCC(C)Oc1ccc2[nH]cc(CC3CCCN3CCCOC(F)F)c2c1
InChIInChI=1S/C20H28F2N2O2/c1-14(2)26-17-6-7-19-18(12-17)15(13-23-19)11-16-5-3-8-24(16)9-4-10-25-20(21)22/h6-7,12-14,16,20,23H,3-5,8-11H2,1-2H3
InChIKeyQOWOCGYGTOOBAE-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.59
Rot. Bonds9

About 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole

3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole (PubChem CID 177026521) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole.

Molecular Properties

Compound Name3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole
PubChem CID177026521
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole
SMILESCC(C)Oc1ccc2[nH]cc(CC3CCCN3CCCOC(F)F)c2c1
InChIInChI=1S/C20H28F2N2O2/c1-14(2)26-17-6-7-19-18(12-17)15(13-23-19)11-16-5-3-8-24(16)9-4-10-25-20(21)22/h6-7,12-14,16,20,23H,3-5,8-11H2,1-2H3
InChIKeyQOWOCGYGTOOBAE-UHFFFAOYSA-N
XLogP4.59
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole?
The IUPAC name of 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole (CID 177026521) is 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole.
What is the SMILES notation for 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole?
The canonical SMILES for 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole is CC(C)Oc1ccc2[nH]cc(CC3CCCN3CCCOC(F)F)c2c1.
What is the InChIKey of 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole?
The InChIKey is QOWOCGYGTOOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-14(2)26-17-6-7-19-18(12-17)15(13-23-19)11-16-5-3-8-24(16)9-4-10-25-20(21)22/h6-7,12-14,16,20,23H,3-5,8-11H2,1-2H3.
What are the key properties of 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole?
3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole has a molecular weight of 366.45 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole is sourced from PubChem (CID 177026521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).