2-(1-fluoropiperidin-3-yl)acetaldehyde

C7H12FNO — CID 145353916

IUPAC2-(1-fluoropiperidin-3-yl)acetaldehyde
SMILESO=CCC1CCCN(F)C1
InChIInChI=1S/C7H12FNO/c8-9-4-1-2-7(6-9)3-5-10/h5,7H,1-4,6H2
InChIKeyZZHHDMFCLLFLHZ-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.17
Rot. Bonds2

About 2-(1-fluoropiperidin-3-yl)acetaldehyde

2-(1-fluoropiperidin-3-yl)acetaldehyde (PubChem CID 145353916) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-(1-fluoropiperidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-fluoropiperidin-3-yl)acetaldehyde
PubChem CID145353916
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-(1-fluoropiperidin-3-yl)acetaldehyde
SMILESO=CCC1CCCN(F)C1
InChIInChI=1S/C7H12FNO/c8-9-4-1-2-7(6-9)3-5-10/h5,7H,1-4,6H2
InChIKeyZZHHDMFCLLFLHZ-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.17
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

1-Fluoropiperidine-4-carbaldehyde
CID 140440149
3-(1-Fluoropiperidin-4-yl)propanal
CID 145353941
2-[1-(2,2-Difluoroethyl)piperidin-3-yl]acetaldehyde
CID 84663160
2-[1-(3,3-Difluoropropyl)piperidin-3-yl]acetaldehyde
CID 84673170
2-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]acetaldehyde
CID 84676626
2-[1-(3,3,3-Trifluoropropyl)piperidin-3-yl]acetaldehyde
CID 84688220
2-Fluoro-2-piperidin-3-ylacetaldehyde
CID 105428768
2-Fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde
CID 105431231
2-(1-Ethylpiperidin-3-yl)-2-fluoroacetaldehyde
CID 105435537
2-Fluoro-3-(1-methylpiperidin-4-yl)propanal
CID 105435541
2,2-Difluoro-2-(1-methylpiperidin-3-yl)acetaldehyde
CID 105436776
2-(1-Ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde
CID 105444834

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropiperidin-3-yl)acetaldehyde?
The IUPAC name of 2-(1-fluoropiperidin-3-yl)acetaldehyde (CID 145353916) is 2-(1-fluoropiperidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1-fluoropiperidin-3-yl)acetaldehyde?
The canonical SMILES for 2-(1-fluoropiperidin-3-yl)acetaldehyde is O=CCC1CCCN(F)C1.
What is the InChIKey of 2-(1-fluoropiperidin-3-yl)acetaldehyde?
The InChIKey is ZZHHDMFCLLFLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-9-4-1-2-7(6-9)3-5-10/h5,7H,1-4,6H2.
What are the key properties of 2-(1-fluoropiperidin-3-yl)acetaldehyde?
2-(1-fluoropiperidin-3-yl)acetaldehyde has a molecular weight of 145.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropiperidin-3-yl)acetaldehyde is sourced from PubChem (CID 145353916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).