3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C9H17F2NO — CID 169201735

IUPAC3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1N(C)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)13-6-8-9(10,11)4-5-12(8)3/h7-8H,4-6H2,1-3H3
InChIKeyQEBXPAUCGBRTFI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds3

About 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 169201735) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID169201735
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1N(C)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)13-6-8-9(10,11)4-5-12(8)3/h7-8H,4-6H2,1-3H3
InChIKeyQEBXPAUCGBRTFI-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 169201735) is 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1N(C)CCC1(F)F.
What is the InChIKey of 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is QEBXPAUCGBRTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)13-6-8-9(10,11)4-5-12(8)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 169201735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).