(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine

C11H21F2NO2 — CID 177009722

IUPAC(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1C[C@H](OC(C)(F)F)C[C@H]1[C@H](C)OC
InChIInChI=1S/C11H21F2NO2/c1-5-14-7-9(16-11(3,12)13)6-10(14)8(2)15-4/h8-10H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeySKKXSOVYULQRCR-AEJSXWLSSA-N
MW237.29 g/mol
LogP2.11
Rot. Bonds5

About (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine

(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine (PubChem CID 177009722) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
PubChem CID177009722
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1C[C@H](OC(C)(F)F)C[C@H]1[C@H](C)OC
InChIInChI=1S/C11H21F2NO2/c1-5-14-7-9(16-11(3,12)13)6-10(14)8(2)15-4/h8-10H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeySKKXSOVYULQRCR-AEJSXWLSSA-N
XLogP2.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178105166
1-ethyl-2-(1-methoxyethyl)-4-methylpiperazine
CID 175342115
[4-[(2-methylpropan-2-yl)oxy]-1-propylpyrrolidin-2-yl]methanediol
CID 143677760
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
CID 59953233
1-(4-methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
CID 126985147
(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009798
(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009917
(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 162615953
1-ethynyl-4-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyrrolidine
CID 167692130
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415
3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine
CID 134576654

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
The IUPAC name of (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine (CID 177009722) is (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine.
What is the SMILES notation for (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
The canonical SMILES for (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine is CCN1C[C@H](OC(C)(F)F)C[C@H]1[C@H](C)OC.
What is the InChIKey of (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
The InChIKey is SKKXSOVYULQRCR-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-5-14-7-9(16-11(3,12)13)6-10(14)8(2)15-4/h8-10H,5-7H2,1-4H3/t8-,9+,10-/m0/s1.
What are the key properties of (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine has a molecular weight of 237.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine is sourced from PubChem (CID 177009722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).