2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine

C9H9F10NO — CID 57272360

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F10NO/c1-21-4-2-3-20-8(16,17)6(12,13)5(10,11)7(14,15)9(20,18)19/h2-4H2,1H3
InChIKeyBHRDIRLSJDZZRB-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.43
Rot. Bonds4

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine (PubChem CID 57272360) has the molecular formula C9H9F10NO and a molecular weight of 337.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine
PubChem CID57272360
Molecular FormulaC9H9F10NO
Molecular Weight337.16 g/mol
Exact Mass337.05
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F10NO/c1-21-4-2-3-20-8(16,17)6(12,13)5(10,11)7(14,15)9(20,18)19/h2-4H2,1H3
InChIKeyBHRDIRLSJDZZRB-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine (CID 57272360) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine is COCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine?
The InChIKey is BHRDIRLSJDZZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F10NO/c1-21-4-2-3-20-8(16,17)6(12,13)5(10,11)7(14,15)9(20,18)19/h2-4H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine has a molecular weight of 337.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 57272360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).