4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol

C8H15F2NO2 — CID 149388665

IUPAC4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol
SMILESCN1CC(COC(C)(F)F)CC1O
InChIInChI=1S/C8H15F2NO2/c1-8(9,10)13-5-6-3-7(12)11(2)4-6/h6-7,12H,3-5H2,1-2H3
InChIKeyYNCBRVBLHQGCFB-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.89
Rot. Bonds3

About 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol

4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol (PubChem CID 149388665) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol.

Molecular Properties

Compound Name4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol
PubChem CID149388665
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol
SMILESCN1CC(COC(C)(F)F)CC1O
InChIInChI=1S/C8H15F2NO2/c1-8(9,10)13-5-6-3-7(12)11(2)4-6/h6-7,12H,3-5H2,1-2H3
InChIKeyYNCBRVBLHQGCFB-UHFFFAOYSA-N
XLogP0.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol?
The IUPAC name of 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol (CID 149388665) is 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol.
What is the SMILES notation for 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol?
The canonical SMILES for 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol is CN1CC(COC(C)(F)F)CC1O.
What is the InChIKey of 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol?
The InChIKey is YNCBRVBLHQGCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-8(9,10)13-5-6-3-7(12)11(2)4-6/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol?
4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol has a molecular weight of 195.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxymethyl)-1-methylpyrrolidin-2-ol is sourced from PubChem (CID 149388665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).