(2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine

C9H17F2NO — CID 163703075

IUPAC(2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine
SMILESCCN1CC(COC(F)F)C[C@H]1C
InChIInChI=1S/C9H17F2NO/c1-3-12-5-8(4-7(12)2)6-13-9(10)11/h7-9H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyKCSGMDDDIFNOEO-GVHYBUMESA-N
MW193.24 g/mol
LogP1.96
Rot. Bonds4

About (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine

(2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine (PubChem CID 163703075) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine
PubChem CID163703075
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine
SMILESCCN1CC(COC(F)F)C[C@H]1C
InChIInChI=1S/C9H17F2NO/c1-3-12-5-8(4-7(12)2)6-13-9(10)11/h7-9H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyKCSGMDDDIFNOEO-GVHYBUMESA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine?
The IUPAC name of (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine (CID 163703075) is (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine.
What is the SMILES notation for (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine?
The canonical SMILES for (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine is CCN1CC(COC(F)F)C[C@H]1C.
What is the InChIKey of (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine?
The InChIKey is KCSGMDDDIFNOEO-GVHYBUMESA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-12-5-8(4-7(12)2)6-13-9(10)11/h7-9H,3-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine?
(2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine is sourced from PubChem (CID 163703075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).