3,3-difluoropiperidine-1-carbaldehyde

C6H9F2NO — CID 87513186

IUPAC3,3-difluoropiperidine-1-carbaldehyde
SMILESO=CN1CCCC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)2-1-3-9(4-6)5-10/h5H,1-4H2
InChIKeyPKQDDRXFUBTACD-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds1

About 3,3-difluoropiperidine-1-carbaldehyde

3,3-difluoropiperidine-1-carbaldehyde (PubChem CID 87513186) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 3,3-difluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name3,3-difluoropiperidine-1-carbaldehyde
PubChem CID87513186
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name3,3-difluoropiperidine-1-carbaldehyde
SMILESO=CN1CCCC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)2-1-3-9(4-6)5-10/h5H,1-4H2
InChIKeyPKQDDRXFUBTACD-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine-1-carbaldehyde?
The IUPAC name of 3,3-difluoropiperidine-1-carbaldehyde (CID 87513186) is 3,3-difluoropiperidine-1-carbaldehyde.
What is the SMILES notation for 3,3-difluoropiperidine-1-carbaldehyde?
The canonical SMILES for 3,3-difluoropiperidine-1-carbaldehyde is O=CN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropiperidine-1-carbaldehyde?
The InChIKey is PKQDDRXFUBTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)2-1-3-9(4-6)5-10/h5H,1-4H2.
What are the key properties of 3,3-difluoropiperidine-1-carbaldehyde?
3,3-difluoropiperidine-1-carbaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 87513186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).