4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine

C11H20F2N2O — CID 121204116

IUPAC4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine
SMILESCOCC1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C11H20F2N2O/c1-16-7-10-6-11(12,13)8-15(10)9-2-4-14-5-3-9/h9-10,14H,2-8H2,1H3
InChIKeyFKDUKDJTFHMHEY-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.09
Rot. Bonds3

About 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine

4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine (PubChem CID 121204116) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine
PubChem CID121204116
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine
SMILESCOCC1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C11H20F2N2O/c1-16-7-10-6-11(12,13)8-15(10)9-2-4-14-5-3-9/h9-10,14H,2-8H2,1H3
InChIKeyFKDUKDJTFHMHEY-UHFFFAOYSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine (CID 121204116) is 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine is COCC1CC(F)(F)CN1C1CCNCC1.
What is the InChIKey of 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine?
The InChIKey is FKDUKDJTFHMHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-16-7-10-6-11(12,13)8-15(10)9-2-4-14-5-3-9/h9-10,14H,2-8H2,1H3.
What are the key properties of 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine?
4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine has a molecular weight of 234.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 121204116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).