2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine

C9H17F2NO — CID 130225793

IUPAC2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine
SMILESCCN1CCCC1CCOC(F)F
InChIInChI=1S/C9H17F2NO/c1-2-12-6-3-4-8(12)5-7-13-9(10)11/h8-9H,2-7H2,1H3
InChIKeyKDFGOJPOKWCHCY-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.10
Rot. Bonds5

About 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine

2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine (PubChem CID 130225793) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine
PubChem CID130225793
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine
SMILESCCN1CCCC1CCOC(F)F
InChIInChI=1S/C9H17F2NO/c1-2-12-6-3-4-8(12)5-7-13-9(10)11/h8-9H,2-7H2,1H3
InChIKeyKDFGOJPOKWCHCY-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine
CID 58341564
2-[2-(1,1-Difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine
CID 58422614
(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59611153
2-[2-(Difluoromethoxy)ethyl]-1-methylpyrrolidine
CID 67405065
2-[2-(1,1-Difluoropropoxy)ethyl]-1-methylpyrrolidine
CID 68233397
4-(Difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 72338230
2-[2-(1,1-Difluoroethoxy)ethyl]-1-methylpyrrolidine
CID 90392461
(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine
CID 129163956
2-[2-(Difluoromethoxy)ethyl]-1-(2,2-dimethylpropyl)pyrrolidine
CID 145766860
(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine
CID 146518414
(2R)-2-ethyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518810
(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 146933740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine?
The IUPAC name of 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine (CID 130225793) is 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine?
The canonical SMILES for 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine is CCN1CCCC1CCOC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine?
The InChIKey is KDFGOJPOKWCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-12-6-3-4-8(12)5-7-13-9(10)11/h8-9H,2-7H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine?
2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethyl]-1-ethylpyrrolidine is sourced from PubChem (CID 130225793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).