2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine

C12H23F2NO — CID 130399562

IUPAC2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOCC1(CC(C)(F)F)CCCN1C(C)C
InChIInChI=1S/C12H23F2NO/c1-10(2)15-7-5-6-12(15,9-16-4)8-11(3,13)14/h10H,5-9H2,1-4H3
InChIKeyRFKPVAQZVBOPFM-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.92
Rot. Bonds5

About 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine

2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine (PubChem CID 130399562) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
PubChem CID130399562
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOCC1(CC(C)(F)F)CCCN1C(C)C
InChIInChI=1S/C12H23F2NO/c1-10(2)15-7-5-6-12(15,9-16-4)8-11(3,13)14/h10H,5-9H2,1-4H3
InChIKeyRFKPVAQZVBOPFM-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine (CID 130399562) is 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine is COCC1(CC(C)(F)F)CCCN1C(C)C.
What is the InChIKey of 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is RFKPVAQZVBOPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-10(2)15-7-5-6-12(15,9-16-4)8-11(3,13)14/h10H,5-9H2,1-4H3.
What are the key properties of 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 235.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 130399562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).