(3S)-3-fluoropiperidine-1-carbaldehyde

C6H10FNO — CID 129270827

IUPAC(3S)-3-fluoropiperidine-1-carbaldehyde
SMILESO=CN1CCC[C@H](F)C1
InChIInChI=1S/C6H10FNO/c7-6-2-1-3-8(4-6)5-9/h5-6H,1-4H2/t6-/m0/s1
InChIKeyBTZNIRZIFRFOQO-LURJTMIESA-N
MW131.15 g/mol
LogP0.58
Rot. Bonds1

About (3S)-3-fluoropiperidine-1-carbaldehyde

(3S)-3-fluoropiperidine-1-carbaldehyde (PubChem CID 129270827) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (3S)-3-fluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-fluoropiperidine-1-carbaldehyde
PubChem CID129270827
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(3S)-3-fluoropiperidine-1-carbaldehyde
SMILESO=CN1CCC[C@H](F)C1
InChIInChI=1S/C6H10FNO/c7-6-2-1-3-8(4-6)5-9/h5-6H,1-4H2/t6-/m0/s1
InChIKeyBTZNIRZIFRFOQO-LURJTMIESA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.58
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 (3S)-3-fluoropiperidine-1-carbaldehyde?
The IUPAC name of (3S)-3-fluoropiperidine-1-carbaldehyde (CID 129270827) is (3S)-3-fluoropiperidine-1-carbaldehyde.
What is the SMILES notation for (3S)-3-fluoropiperidine-1-carbaldehyde?
The canonical SMILES for (3S)-3-fluoropiperidine-1-carbaldehyde is O=CN1CCC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoropiperidine-1-carbaldehyde?
The InChIKey is BTZNIRZIFRFOQO-LURJTMIESA-N. The full InChI is InChI=1S/C6H10FNO/c7-6-2-1-3-8(4-6)5-9/h5-6H,1-4H2/t6-/m0/s1.
What are the key properties of (3S)-3-fluoropiperidine-1-carbaldehyde?
(3S)-3-fluoropiperidine-1-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 129270827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).