3-fluoropiperidine-4-carbaldehyde

C6H10FNO — CID 130893851

IUPAC3-fluoropiperidine-4-carbaldehyde
SMILESO=CC1CCNCC1F
InChIInChI=1S/C6H10FNO/c7-6-3-8-2-1-5(6)4-9/h4-6,8H,1-3H2
InChIKeyOIOCGVUOKKWNDX-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.13
Rot. Bonds1

About 3-fluoropiperidine-4-carbaldehyde

3-fluoropiperidine-4-carbaldehyde (PubChem CID 130893851) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-fluoropiperidine-4-carbaldehyde.

Molecular Properties

Compound Name3-fluoropiperidine-4-carbaldehyde
PubChem CID130893851
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-fluoropiperidine-4-carbaldehyde
SMILESO=CC1CCNCC1F
InChIInChI=1S/C6H10FNO/c7-6-3-8-2-1-5(6)4-9/h4-6,8H,1-3H2
InChIKeyOIOCGVUOKKWNDX-UHFFFAOYSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoropiperidine-4-carbaldehyde?
The IUPAC name of 3-fluoropiperidine-4-carbaldehyde (CID 130893851) is 3-fluoropiperidine-4-carbaldehyde.
What is the SMILES notation for 3-fluoropiperidine-4-carbaldehyde?
The canonical SMILES for 3-fluoropiperidine-4-carbaldehyde is O=CC1CCNCC1F.
What is the InChIKey of 3-fluoropiperidine-4-carbaldehyde?
The InChIKey is OIOCGVUOKKWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-6-3-8-2-1-5(6)4-9/h4-6,8H,1-3H2.
What are the key properties of 3-fluoropiperidine-4-carbaldehyde?
3-fluoropiperidine-4-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropiperidine-4-carbaldehyde is sourced from PubChem (CID 130893851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).