1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine

C9H12ClF6NO — CID 20579832

IUPAC1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
SMILESFC(F)(OCCl)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H12ClF6NO/c10-6-18-9(15,16)7(11,12)8(13,14)17-4-2-1-3-5-17/h1-6H2
InChIKeyFJMFDAUKUWERRD-UHFFFAOYSA-N
MW299.64 g/mol
LogP3.51
Rot. Bonds5

About 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine

1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine (PubChem CID 20579832) has the molecular formula C9H12ClF6NO and a molecular weight of 299.64 g/mol. Its IUPAC name is 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine.

Molecular Properties

Compound Name1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
PubChem CID20579832
Molecular FormulaC9H12ClF6NO
Molecular Weight299.64 g/mol
Exact Mass299.05
IUPAC Name1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
SMILESFC(F)(OCCl)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H12ClF6NO/c10-6-18-9(15,16)7(11,12)8(13,14)17-4-2-1-3-5-17/h1-6H2
InChIKeyFJMFDAUKUWERRD-UHFFFAOYSA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.64
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine?
The IUPAC name of 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine (CID 20579832) is 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine.
What is the SMILES notation for 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine?
The canonical SMILES for 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine is FC(F)(OCCl)C(F)(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine?
The InChIKey is FJMFDAUKUWERRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF6NO/c10-6-18-9(15,16)7(11,12)8(13,14)17-4-2-1-3-5-17/h1-6H2.
What are the key properties of 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine?
1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine has a molecular weight of 299.64 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine is sourced from PubChem (CID 20579832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).