4-fluoropiperidine-4-carbaldehyde

C6H10FNO — CID 105427575

IUPAC4-fluoropiperidine-4-carbaldehyde
SMILESO=CC1(F)CCNCC1
InChIInChI=1S/C6H10FNO/c7-6(5-9)1-3-8-4-2-6/h5,8H,1-4H2
InChIKeyKPYGJMKQDGAYEZ-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.28
Rot. Bonds1

About 4-fluoropiperidine-4-carbaldehyde

4-fluoropiperidine-4-carbaldehyde (PubChem CID 105427575) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoropiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-fluoropiperidine-4-carbaldehyde
PubChem CID105427575
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name4-fluoropiperidine-4-carbaldehyde
SMILESO=CC1(F)CCNCC1
InChIInChI=1S/C6H10FNO/c7-6(5-9)1-3-8-4-2-6/h5,8H,1-4H2
InChIKeyKPYGJMKQDGAYEZ-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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 4-fluoropiperidine-4-carbaldehyde?
The IUPAC name of 4-fluoropiperidine-4-carbaldehyde (CID 105427575) is 4-fluoropiperidine-4-carbaldehyde.
What is the SMILES notation for 4-fluoropiperidine-4-carbaldehyde?
The canonical SMILES for 4-fluoropiperidine-4-carbaldehyde is O=CC1(F)CCNCC1.
What is the InChIKey of 4-fluoropiperidine-4-carbaldehyde?
The InChIKey is KPYGJMKQDGAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-6(5-9)1-3-8-4-2-6/h5,8H,1-4H2.
What are the key properties of 4-fluoropiperidine-4-carbaldehyde?
4-fluoropiperidine-4-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropiperidine-4-carbaldehyde is sourced from PubChem (CID 105427575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).