1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine

C11H25F2NO2 — CID 177009726

IUPAC1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine
SMILESCC.COCC(F)F.CO[C@H]1CCN(C)C1
InChIInChI=1S/C6H13NO.C3H6F2O.C2H6/c1-7-4-3-6(5-7)8-2;1-6-2-3(4)5;1-2/h6H,3-5H2,1-2H3;3H,2H2,1H3;1-2H3/t6-;;/m0../s1
InChIKeyNWMCPKCJAWYOSN-ILKKLZGPSA-N
MW241.32 g/mol
LogP2.26
Rot. Bonds3

About 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine

1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine (PubChem CID 177009726) has the molecular formula C11H25F2NO2 and a molecular weight of 241.32 g/mol. Its IUPAC name is 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine
PubChem CID177009726
Molecular FormulaC11H25F2NO2
Molecular Weight241.32 g/mol
Exact Mass241.19
IUPAC Name1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine
SMILESCC.COCC(F)F.CO[C@H]1CCN(C)C1
InChIInChI=1S/C6H13NO.C3H6F2O.C2H6/c1-7-4-3-6(5-7)8-2;1-6-2-3(4)5;1-2/h6H,3-5H2,1-2H3;3H,2H2,1H3;1-2H3/t6-;;/m0../s1
InChIKeyNWMCPKCJAWYOSN-ILKKLZGPSA-N
XLogP2.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
CID 130670186
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
N-(1-methylpyrrolidin-3-yl)oxymethanamine
CID 105427551
N-(1-methoxypropan-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115664125
1-fluoro-3-methoxypyrrolidine
CID 123891077
(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane
CID 166533777
(3S)-3-ethenoxy-1-methylpyrrolidine
CID 59825161

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine?
The IUPAC name of 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine (CID 177009726) is 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine.
What is the SMILES notation for 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine?
The canonical SMILES for 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine is CC.COCC(F)F.CO[C@H]1CCN(C)C1.
What is the InChIKey of 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine?
The InChIKey is NWMCPKCJAWYOSN-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H13NO.C3H6F2O.C2H6/c1-7-4-3-6(5-7)8-2;1-6-2-3(4)5;1-2/h6H,3-5H2,1-2H3;3H,2H2,1H3;1-2H3/t6-;;/m0../s1.
What are the key properties of 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine?
1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine has a molecular weight of 241.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 177009726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).