4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine

C8H15F2NO — CID 139417849

IUPAC4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CC(F)(F)CN1
InChIInChI=1S/C8H15F2NO/c1-6(2)12-4-7-3-8(9,10)5-11-7/h6-7,11H,3-5H2,1-2H3
InChIKeyGPFWIKIMCIPIKB-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds3

About 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine

4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 139417849) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID139417849
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CC(F)(F)CN1
InChIInChI=1S/C8H15F2NO/c1-6(2)12-4-7-3-8(9,10)5-11-7/h6-7,11H,3-5H2,1-2H3
InChIKeyGPFWIKIMCIPIKB-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine (CID 139417849) is 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is GPFWIKIMCIPIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)12-4-7-3-8(9,10)5-11-7/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine?
4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 139417849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).