1-(2-fluoroethyl)piperidine-2-carbaldehyde

C8H14FNO — CID 80694972

IUPAC1-(2-fluoroethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCF
InChIInChI=1S/C8H14FNO/c9-4-6-10-5-2-1-3-8(10)7-11/h7-8H,1-6H2
InChIKeyCERRDDMHOSDIRN-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.01
Rot. Bonds3

About 1-(2-fluoroethyl)piperidine-2-carbaldehyde

1-(2-fluoroethyl)piperidine-2-carbaldehyde (PubChem CID 80694972) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperidine-2-carbaldehyde
PubChem CID80694972
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(2-fluoroethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCF
InChIInChI=1S/C8H14FNO/c9-4-6-10-5-2-1-3-8(10)7-11/h7-8H,1-6H2
InChIKeyCERRDDMHOSDIRN-UHFFFAOYSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
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 1-(2-fluoroethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(2-fluoroethyl)piperidine-2-carbaldehyde (CID 80694972) is 1-(2-fluoroethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-fluoroethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(2-fluoroethyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)piperidine-2-carbaldehyde?
The InChIKey is CERRDDMHOSDIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-4-6-10-5-2-1-3-8(10)7-11/h7-8H,1-6H2.
What are the key properties of 1-(2-fluoroethyl)piperidine-2-carbaldehyde?
1-(2-fluoroethyl)piperidine-2-carbaldehyde has a molecular weight of 159.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 80694972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).