4,4-difluoro-3-(methoxymethyl)piperidine

C7H13F2NO — CID 105432609

IUPAC4,4-difluoro-3-(methoxymethyl)piperidine
SMILESCOCC1CNCCC1(F)F
InChIInChI=1S/C7H13F2NO/c1-11-5-6-4-10-3-2-7(6,8)9/h6,10H,2-5H2,1H3
InChIKeyHLERWHQGNFAKDU-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds2

About 4,4-difluoro-3-(methoxymethyl)piperidine

4,4-difluoro-3-(methoxymethyl)piperidine (PubChem CID 105432609) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4,4-difluoro-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(methoxymethyl)piperidine
PubChem CID105432609
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4,4-difluoro-3-(methoxymethyl)piperidine
SMILESCOCC1CNCCC1(F)F
InChIInChI=1S/C7H13F2NO/c1-11-5-6-4-10-3-2-7(6,8)9/h6,10H,2-5H2,1H3
InChIKeyHLERWHQGNFAKDU-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(methoxymethyl)piperidine?
The IUPAC name of 4,4-difluoro-3-(methoxymethyl)piperidine (CID 105432609) is 4,4-difluoro-3-(methoxymethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(methoxymethyl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(methoxymethyl)piperidine is COCC1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-(methoxymethyl)piperidine?
The InChIKey is HLERWHQGNFAKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-5-6-4-10-3-2-7(6,8)9/h6,10H,2-5H2,1H3.
What are the key properties of 4,4-difluoro-3-(methoxymethyl)piperidine?
4,4-difluoro-3-(methoxymethyl)piperidine has a molecular weight of 165.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(methoxymethyl)piperidine is sourced from PubChem (CID 105432609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).