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

C9H18FNO — CID 168995661

IUPAC(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
SMILESCCO[C@@H](C)[C@@H]1[C@@H](F)CCN1C
InChIInChI=1S/C9H18FNO/c1-4-12-7(2)9-8(10)5-6-11(9)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyTVEONRRSRUAARH-XHNCKOQMSA-N
MW175.25 g/mol
LogP1.45
Rot. Bonds3

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

(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine (PubChem CID 168995661) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
PubChem CID168995661
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
SMILESCCO[C@@H](C)[C@@H]1[C@@H](F)CCN1C
InChIInChI=1S/C9H18FNO/c1-4-12-7(2)9-8(10)5-6-11(9)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyTVEONRRSRUAARH-XHNCKOQMSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177091664
(2R,3S)-3-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168850357
(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine
CID 177009658
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
CID 178125240
2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 178107003
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177217366
(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
CID 167399019
dimethoxysilane;1-ethoxyethylcyclopropane;methanamine
CID 175354718
3-(1-ethoxyethyl)oxolane
CID 11788363

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine?
The IUPAC name of (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine (CID 168995661) is (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine.
What is the SMILES notation for (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine?
The canonical SMILES for (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine is CCO[C@@H](C)[C@@H]1[C@@H](F)CCN1C.
What is the InChIKey of (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine?
The InChIKey is TVEONRRSRUAARH-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-12-7(2)9-8(10)5-6-11(9)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine?
(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 168995661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).