(2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine

C11H22FNO2 — CID 177009948

IUPAC(2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine
SMILESCO[C@H]1CCN(C)[C@@H]1[C@@H](CF)OC(C)C
InChIInChI=1S/C11H22FNO2/c1-8(2)15-10(7-12)11-9(14-4)5-6-13(11)3/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyYSYOVPLXDQUENQ-AXFHLTTASA-N
MW219.30 g/mol
LogP1.47
Rot. Bonds5

About (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine

(2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine (PubChem CID 177009948) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine
PubChem CID177009948
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name(2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine
SMILESCO[C@H]1CCN(C)[C@@H]1[C@@H](CF)OC(C)C
InChIInChI=1S/C11H22FNO2/c1-8(2)15-10(7-12)11-9(14-4)5-6-13(11)3/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyYSYOVPLXDQUENQ-AXFHLTTASA-N
XLogP1.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 15930135
3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]propan-1-ol
CID 58778737
2-(Ethoxymethyl)-4-fluoro-1-methylpyrrolidine
CID 76646808
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
4-Fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine
CID 126542183
1-(2-Fluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 131202671
(2R,4R)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364341
(2S,4S)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364344
(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine
CID 143226929
4-Fluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 146389261
(2R)-2-ethyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518810

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine?
The IUPAC name of (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine (CID 177009948) is (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine.
What is the SMILES notation for (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine?
The canonical SMILES for (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine is CO[C@H]1CCN(C)[C@@H]1[C@@H](CF)OC(C)C.
What is the InChIKey of (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine?
The InChIKey is YSYOVPLXDQUENQ-AXFHLTTASA-N. The full InChI is InChI=1S/C11H22FNO2/c1-8(2)15-10(7-12)11-9(14-4)5-6-13(11)3/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine?
(2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine has a molecular weight of 219.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 177009948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).