3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine

C10H19F2NO — CID 171531443

IUPAC3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1
InChIInChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3/h7-9,13H,4-6H2,1-3H3
InChIKeyZPABLXGCTGAESP-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.04
Rot. Bonds3

About 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine

3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine (PubChem CID 171531443) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
PubChem CID171531443
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1
InChIInChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3/h7-9,13H,4-6H2,1-3H3
InChIKeyZPABLXGCTGAESP-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine (CID 171531443) is 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine is COCC1CCC(F)(F)C(C(C)C)N1.
What is the InChIKey of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
The InChIKey is ZPABLXGCTGAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine is sourced from PubChem (CID 171531443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).