1-fluoropiperidine-2-carbaldehyde

C6H10FNO — CID 150894585

IUPAC1-fluoropiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1F
InChIInChI=1S/C6H10FNO/c7-8-4-2-1-3-6(8)5-9/h5-6H,1-4H2
InChIKeyKYSIDQFELIAVGP-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.92
Rot. Bonds1

About 1-fluoropiperidine-2-carbaldehyde

1-fluoropiperidine-2-carbaldehyde (PubChem CID 150894585) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-fluoropiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-fluoropiperidine-2-carbaldehyde
PubChem CID150894585
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name1-fluoropiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1F
InChIInChI=1S/C6H10FNO/c7-8-4-2-1-3-6(8)5-9/h5-6H,1-4H2
InChIKeyKYSIDQFELIAVGP-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Formylpiperidine
CID 10996990
1-(2,2,2-Trifluoroethyl)piperidine-2-carbaldehyde
CID 62654422
1-(Difluoromethyl)piperidine-2-carbaldehyde
CID 62656779
4,4-Difluoro-1-methylpiperidine-2-carbaldehyde
CID 117891666
5,5-Difluoro-1-methylpiperidine-2-carbaldehyde
CID 122416818
1-(1,2,2-Trifluoroethyl)piperidine-2-carbaldehyde
CID 175417338
1-(2,2-Difluoroethyl)piperidine-2-carbaldehyde
CID 62655325
1-(3,3,3-Trifluoropropyl)piperidine-2-carbaldehyde
CID 64566361
1-(2-Fluoroethyl)piperidine-2-carbaldehyde
CID 80694972
1-(3-Fluoropropyl)piperidine-2-carbaldehyde
CID 81114516
1-(3,3-Difluoropropyl)piperidine-2-carbaldehyde
CID 84663156
1-(4,4,4-Trifluorobutyl)piperidine-2-carbaldehyde
CID 115518190

Frequently Asked Questions

What is the IUPAC name of 1-fluoropiperidine-2-carbaldehyde?
The IUPAC name of 1-fluoropiperidine-2-carbaldehyde (CID 150894585) is 1-fluoropiperidine-2-carbaldehyde.
What is the SMILES notation for 1-fluoropiperidine-2-carbaldehyde?
The canonical SMILES for 1-fluoropiperidine-2-carbaldehyde is O=CC1CCCCN1F.
What is the InChIKey of 1-fluoropiperidine-2-carbaldehyde?
The InChIKey is KYSIDQFELIAVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-8-4-2-1-3-6(8)5-9/h5-6H,1-4H2.
What are the key properties of 1-fluoropiperidine-2-carbaldehyde?
1-fluoropiperidine-2-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropiperidine-2-carbaldehyde is sourced from PubChem (CID 150894585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).