3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde

C6H5F6NO — CID 174048692

IUPAC3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde
SMILESO=CN1CC(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C6H5F6NO/c7-4(8)1-13(3-14)2-5(9,10)6(4,11)12/h3H,1-2H2
InChIKeyKBONJVQTTIHNQW-UHFFFAOYSA-N
MW221.10 g/mol
LogP1.36
Rot. Bonds1

About 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde

3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde (PubChem CID 174048692) has the molecular formula C6H5F6NO and a molecular weight of 221.10 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde
PubChem CID174048692
Molecular FormulaC6H5F6NO
Molecular Weight221.10 g/mol
Exact Mass221.03
IUPAC Name3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde
SMILESO=CN1CC(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C6H5F6NO/c7-4(8)1-13(3-14)2-5(9,10)6(4,11)12/h3H,1-2H2
InChIKeyKBONJVQTTIHNQW-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde?
The IUPAC name of 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde (CID 174048692) is 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde?
The canonical SMILES for 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde is O=CN1CC(F)(F)C(F)(F)C(F)(F)C1.
What is the InChIKey of 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde?
The InChIKey is KBONJVQTTIHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6NO/c7-4(8)1-13(3-14)2-5(9,10)6(4,11)12/h3H,1-2H2.
What are the key properties of 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde?
3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde has a molecular weight of 221.10 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 174048692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).