(2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine

C16H21F2NO — CID 178102747

IUPAC(2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CC1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C16H21F2NO/c1-19-8-2-3-13(19)9-12-5-4-11-6-7-14(10-15(11)12)20-16(17)18/h6-7,10,12-13,16H,2-5,8-9H2,1H3/t12?,13-/m1/s1
InChIKeyOIVSEYYFXBXZEO-ZGTCLIOFSA-N
MW281.35 g/mol
LogP3.80
Rot. Bonds4

About (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine

(2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine (PubChem CID 178102747) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
PubChem CID178102747
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CC1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C16H21F2NO/c1-19-8-2-3-13(19)9-12-5-4-11-6-7-14(10-15(11)12)20-16(17)18/h6-7,10,12-13,16H,2-5,8-9H2,1H3/t12?,13-/m1/s1
InChIKeyOIVSEYYFXBXZEO-ZGTCLIOFSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine (CID 178102747) is (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine is CN1CCC[C@@H]1CC1CCc2ccc(OC(F)F)cc21.
What is the InChIKey of (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
The InChIKey is OIVSEYYFXBXZEO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-19-8-2-3-13(19)9-12-5-4-11-6-7-14(10-15(11)12)20-16(17)18/h6-7,10,12-13,16H,2-5,8-9H2,1H3/t12?,13-/m1/s1.
What are the key properties of (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
(2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine has a molecular weight of 281.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine is sourced from PubChem (CID 178102747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).