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

C11H21F2NO — CID 146518414

IUPAC(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine
SMILESCC[C@@H]1CC(COC(F)F)CN1C(C)C
InChIInChI=1S/C11H21F2NO/c1-4-10-5-9(7-15-11(12)13)6-14(10)8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyMGTDYLJHCIDJEP-QVDQXJPCSA-N
MW221.29 g/mol
LogP2.73
Rot. Bonds5

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

(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine (PubChem CID 146518414) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine
PubChem CID146518414
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine
SMILESCC[C@@H]1CC(COC(F)F)CN1C(C)C
InChIInChI=1S/C11H21F2NO/c1-4-10-5-9(7-15-11(12)13)6-14(10)8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyMGTDYLJHCIDJEP-QVDQXJPCSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine (CID 146518414) is (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine is CC[C@@H]1CC(COC(F)F)CN1C(C)C.
What is the InChIKey of (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine?
The InChIKey is MGTDYLJHCIDJEP-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-10-5-9(7-15-11(12)13)6-14(10)8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine?
(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 146518414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).