2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine

C11H21F2NO — CID 137419191

IUPAC2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CN1CCCC1COC(F)F
InChIInChI=1S/C11H21F2NO/c1-11(2,3)8-14-6-4-5-9(14)7-15-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyJVACCYFDRZQHAC-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.74
Rot. Bonds4

About 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine

2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 137419191) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine
PubChem CID137419191
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CN1CCCC1COC(F)F
InChIInChI=1S/C11H21F2NO/c1-11(2,3)8-14-6-4-5-9(14)7-15-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyJVACCYFDRZQHAC-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine (CID 137419191) is 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)CN1CCCC1COC(F)F.
What is the InChIKey of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is JVACCYFDRZQHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-11(2,3)8-14-6-4-5-9(14)7-15-10(12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine?
2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 137419191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).