3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine

C9H16F3NO — CID 166824078

IUPAC3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine
SMILESCC1CN(F)C(C)C(C)(OC(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6-4-9(3,14-8(10)11)7(2)13(12)5-6/h6-8H,4-5H2,1-3H3
InChIKeyLYBQKRLSTIYDIL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.60
Rot. Bonds2

About 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine

3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine (PubChem CID 166824078) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine
PubChem CID166824078
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine
SMILESCC1CN(F)C(C)C(C)(OC(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6-4-9(3,14-8(10)11)7(2)13(12)5-6/h6-8H,4-5H2,1-3H3
InChIKeyLYBQKRLSTIYDIL-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-(Difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine
CID 170771867
3-(Difluoromethoxy)-1,2-di(propan-2-yl)piperidine
CID 171756133
3-(Difluoromethoxy)-1,5-di(propan-2-yl)piperidine
CID 172092773
1-(2,2-Difluoroethyl)-3-methoxy-3-methylpiperidine
CID 126986089
3-Methoxy-1,3-di(propan-2-yl)piperidine
CID 58405005
3-Ethyl-3-methoxy-1-propan-2-ylpiperidine
CID 167008503

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine?
The IUPAC name of 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine (CID 166824078) is 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine.
What is the SMILES notation for 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine?
The canonical SMILES for 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine is CC1CN(F)C(C)C(C)(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine?
The InChIKey is LYBQKRLSTIYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-4-9(3,14-8(10)11)7(2)13(12)5-6/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine?
3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine has a molecular weight of 211.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-fluoro-2,3,5-trimethylpiperidine is sourced from PubChem (CID 166824078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).