(2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine

C9H17F2NO — CID 170053068

IUPAC(2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine
SMILESCCO[C@@H](C)[C@@H]1C(CCN1C)(F)F
InChIInChI=1S/C9H17F2NO/c1-4-13-7(2)8-9(10,11)5-6-12(8)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyHQGVOBBXHGVNCO-JGVFFNPUSA-N
MW193.23 g/mol
LogP1.80
Rot. Bonds3

About (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine

(2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine (PubChem CID 170053068) has the molecular formula C9H17F2NO and a molecular weight of 193.23 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine
PubChem CID170053068
Molecular FormulaC9H17F2NO
Molecular Weight193.23 g/mol
Exact Mass193.13
IUPAC Name(2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine
SMILESCCO[C@@H](C)[C@@H]1C(CCN1C)(F)F
InChIInChI=1S/C9H17F2NO/c1-4-13-7(2)8-9(10,11)5-6-12(8)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyHQGVOBBXHGVNCO-JGVFFNPUSA-N
XLogP1.80
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity175

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9990216
[(2R,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 15930132
4-Deoxy-4-fluoromuscarine
CID 195698
[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10442649
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10495976
[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10591832
[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 14589730
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 15930134
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 15930135
1-[2-(2,2-Difluoropropoxy)cyclohexyl]pyrrolidine
CID 58341560
(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 59611228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine (CID 170053068) is (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine is CCO[C@@H](C)[C@@H]1C(CCN1C)(F)F.
What is the InChIKey of (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine?
The InChIKey is HQGVOBBXHGVNCO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-4-13-7(2)8-9(10,11)5-6-12(8)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine?
(2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine has a molecular weight of 193.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 170053068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).