2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine

C11H21F2NO — CID 170771439

IUPAC2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine
SMILESCCN1C(COC(F)F)CCC1C(C)C
InChIInChI=1S/C11H21F2NO/c1-4-14-9(7-15-11(12)13)5-6-10(14)8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyNRIJQJYMESFIDN-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.73
Rot. Bonds5

About 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine

2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine (PubChem CID 170771439) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine
PubChem CID170771439
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine
SMILESCCN1C(COC(F)F)CCC1C(C)C
InChIInChI=1S/C11H21F2NO/c1-4-14-9(7-15-11(12)13)5-6-10(14)8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyNRIJQJYMESFIDN-UHFFFAOYSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 58778702
2-(2,2-Difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 130399562
2-(Methoxymethyl)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 130399588
1-(3-Fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine
CID 163614757
1-Methyl-2-(2-methylpropyl)-4-(trifluoromethoxy)pyrrolidine
CID 163972116
1-(3-Fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine
CID 163977873
1-(3-Fluoropropyl)-2-(methoxymethyl)-5-(2-methylpropyl)pyrrolidine
CID 163977874
1-Methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 166984292
2-Butan-2-yl-1-methyl-4-(trifluoromethoxy)pyrrolidine
CID 166984344
(2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
CID 167294424
(2S,4R)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
CID 167294435
2-(Methoxymethyl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 168880763

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine?
The IUPAC name of 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine (CID 170771439) is 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine is CCN1C(COC(F)F)CCC1C(C)C.
What is the InChIKey of 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine?
The InChIKey is NRIJQJYMESFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-14-9(7-15-11(12)13)5-6-10(14)8(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine?
2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine is sourced from PubChem (CID 170771439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).