2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde

C7H10F3NO — CID 142793535

IUPAC2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC(F)C1(F)F
InChIInChI=1S/C7H10F3NO/c8-6-2-1-3-11(4-5-12)7(6,9)10/h5-6H,1-4H2
InChIKeyGFHJTDFKZWNHSY-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.21
Rot. Bonds2

About 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde

2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde (PubChem CID 142793535) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde
PubChem CID142793535
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC(F)C1(F)F
InChIInChI=1S/C7H10F3NO/c8-6-2-1-3-11(4-5-12)7(6,9)10/h5-6H,1-4H2
InChIKeyGFHJTDFKZWNHSY-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde (CID 142793535) is 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde is O=CCN1CCCC(F)C1(F)F.
What is the InChIKey of 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde?
The InChIKey is GFHJTDFKZWNHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-6-2-1-3-11(4-5-12)7(6,9)10/h5-6H,1-4H2.
What are the key properties of 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde?
2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde has a molecular weight of 181.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trifluoropiperidin-1-yl)acetaldehyde is sourced from PubChem (CID 142793535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).