(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane

C11H23F2NO2 — CID 177009607

IUPAC(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane
SMILESCC.CO[C@@H](C)[C@@H]1[C@@H](OC(F)F)CCN1C
InChIInChI=1S/C9H17F2NO2.C2H6/c1-6(13-3)8-7(14-9(10)11)4-5-12(8)2;1-2/h6-9H,4-5H2,1-3H3;1-2H3/t6-,7-,8+;/m0./s1
InChIKeyDCQIJHIZDPEZMC-CGJXVAEWSA-N
MW239.31 g/mol
LogP2.36
Rot. Bonds4

About (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane

(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane (PubChem CID 177009607) has the molecular formula C11H23F2NO2 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane.

Molecular Properties

Compound Name(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane
PubChem CID177009607
Molecular FormulaC11H23F2NO2
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC Name(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane
SMILESCC.CO[C@@H](C)[C@@H]1[C@@H](OC(F)F)CCN1C
InChIInChI=1S/C9H17F2NO2.C2H6/c1-6(13-3)8-7(14-9(10)11)4-5-12(8)2;1-2/h6-9H,4-5H2,1-3H3;1-2H3/t6-,7-,8+;/m0./s1
InChIKeyDCQIJHIZDPEZMC-CGJXVAEWSA-N
XLogP2.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane?
The IUPAC name of (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane (CID 177009607) is (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane.
What is the SMILES notation for (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane?
The canonical SMILES for (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane is CC.CO[C@@H](C)[C@@H]1[C@@H](OC(F)F)CCN1C.
What is the InChIKey of (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane?
The InChIKey is DCQIJHIZDPEZMC-CGJXVAEWSA-N. The full InChI is InChI=1S/C9H17F2NO2.C2H6/c1-6(13-3)8-7(14-9(10)11)4-5-12(8)2;1-2/h6-9H,4-5H2,1-3H3;1-2H3/t6-,7-,8+;/m0./s1.
What are the key properties of (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane?
(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane has a molecular weight of 239.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane is sourced from PubChem (CID 177009607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).