(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine

C11H21F2NO — CID 129163956

IUPAC(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine
SMILESCCN1CC(COC(F)F)C[C@H]1C(C)C
InChIInChI=1S/C11H21F2NO/c1-4-14-6-9(7-15-11(12)13)5-10(14)8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyNIHZHWJNANKJKS-AXDSSHIGSA-N
MW221.29 g/mol
LogP2.59
Rot. Bonds5

About (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine

(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine (PubChem CID 129163956) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine
PubChem CID129163956
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine
SMILESCCN1CC(COC(F)F)C[C@H]1C(C)C
InChIInChI=1S/C11H21F2NO/c1-4-14-6-9(7-15-11(12)13)5-10(14)8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyNIHZHWJNANKJKS-AXDSSHIGSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine (CID 129163956) is (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine is CCN1CC(COC(F)F)C[C@H]1C(C)C.
What is the InChIKey of (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine?
The InChIKey is NIHZHWJNANKJKS-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-14-6-9(7-15-11(12)13)5-10(14)8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine?
(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 129163956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).