1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine

C8H15F2NO — CID 148811914

IUPAC1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c1-12-6-7-3-2-4-11(7)5-8(9)10/h7-8H,2-6H2,1H3
InChIKeyOQBUECMAMCREOE-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine

1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 148811914) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
PubChem CID148811914
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c1-12-6-7-3-2-4-11(7)5-8(9)10/h7-8H,2-6H2,1H3
InChIKeyOQBUECMAMCREOE-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine (CID 148811914) is 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine is COCC1CCCN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is OQBUECMAMCREOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-12-6-7-3-2-4-11(7)5-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 148811914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).