(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine

C9H17F2NO — CID 177217366

IUPAC(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
SMILESCO[C@@H](C)[C@@H]1[C@H](C(F)F)CCN1C
InChIInChI=1S/C9H17F2NO/c1-6(13-3)8-7(9(10)11)4-5-12(8)2/h6-9H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyHEHNDGGIVUYOSY-XLPZGREQSA-N
MW193.24 g/mol
LogP1.61
Rot. Bonds3

About (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine

(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine (PubChem CID 177217366) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
PubChem CID177217366
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
SMILESCO[C@@H](C)[C@@H]1[C@H](C(F)F)CCN1C
InChIInChI=1S/C9H17F2NO/c1-6(13-3)8-7(9(10)11)4-5-12(8)2/h6-9H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyHEHNDGGIVUYOSY-XLPZGREQSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane
CID 177009607
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
CID 177009838
(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)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009553
(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
CID 168995661
(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009917
(2S,3S)-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 171423104
4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium
CID 177010244
(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009798
4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium
CID 177009918
(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine
CID 177009658

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine?
The IUPAC name of (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine (CID 177217366) is (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine?
The canonical SMILES for (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine is CO[C@@H](C)[C@@H]1[C@H](C(F)F)CCN1C.
What is the InChIKey of (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine?
The InChIKey is HEHNDGGIVUYOSY-XLPZGREQSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(13-3)8-7(9(10)11)4-5-12(8)2/h6-9H,4-5H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine?
(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine is sourced from PubChem (CID 177217366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).