(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C11H21F2NO2 — CID 177009553

IUPAC(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@@H]1C(OC(F)F)CCN1C
InChIInChI=1S/C11H21F2NO2/c1-7(2)15-8(3)10-9(16-11(12)13)5-6-14(10)4/h7-11H,5-6H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeySSILZFOJKUDMHU-DJBFQZMMSA-N
MW237.29 g/mol
LogP2.11
Rot. Bonds5

About (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 177009553) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID177009553
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@@H]1C(OC(F)F)CCN1C
InChIInChI=1S/C11H21F2NO2/c1-7(2)15-8(3)10-9(16-11(12)13)5-6-14(10)4/h7-11H,5-6H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeySSILZFOJKUDMHU-DJBFQZMMSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 177009553) is (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CC(C)O[C@@H](C)[C@@H]1C(OC(F)F)CCN1C.
What is the InChIKey of (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is SSILZFOJKUDMHU-DJBFQZMMSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-7(2)15-8(3)10-9(16-11(12)13)5-6-14(10)4/h7-11H,5-6H2,1-4H3/t8-,9?,10+/m0/s1.
What are the key properties of (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]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 (2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 177009553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).