4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine

C20H38F2N2O2 — CID 166984284

IUPAC4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine
SMILESCC(CCC(C)C1CC(OC(F)F)CN1C)OC1CC(C(C)C)N(C)C1
InChIInChI=1S/C20H38F2N2O2/c1-13(2)18-9-16(11-23(18)5)25-15(4)8-7-14(3)19-10-17(12-24(19)6)26-20(21)22/h13-20H,7-12H2,1-6H3
InChIKeyOAZINHMTGLXXLM-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.85
Rot. Bonds9

About 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine

4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine (PubChem CID 166984284) has the molecular formula C20H38F2N2O2 and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine
PubChem CID166984284
Molecular FormulaC20H38F2N2O2
Molecular Weight376.53 g/mol
Exact Mass376.29
IUPAC Name4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine
SMILESCC(CCC(C)C1CC(OC(F)F)CN1C)OC1CC(C(C)C)N(C)C1
InChIInChI=1S/C20H38F2N2O2/c1-13(2)18-9-16(11-23(18)5)25-15(4)8-7-14(3)19-10-17(12-24(19)6)26-20(21)22/h13-20H,7-12H2,1-6H3
InChIKeyOAZINHMTGLXXLM-UHFFFAOYSA-N
XLogP3.85
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine?
The IUPAC name of 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine (CID 166984284) is 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine.
What is the SMILES notation for 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine?
The canonical SMILES for 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine is CC(CCC(C)C1CC(OC(F)F)CN1C)OC1CC(C(C)C)N(C)C1.
What is the InChIKey of 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine?
The InChIKey is OAZINHMTGLXXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F2N2O2/c1-13(2)18-9-16(11-23(18)5)25-15(4)8-7-14(3)19-10-17(12-24(19)6)26-20(21)22/h13-20H,7-12H2,1-6H3.
What are the key properties of 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine?
4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine has a molecular weight of 376.53 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-methyl-2-[5-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)oxyhexan-2-yl]pyrrolidine is sourced from PubChem (CID 166984284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).