2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde

C8H10F3NO2 — CID 144773567

IUPAC2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde
SMILESO=CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)6-1-3-12(4-2-6)7(14)5-13/h5-6H,1-4H2
InChIKeyGXPNGLWTBOUDOW-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.99
Rot. Bonds1

About 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde

2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde (PubChem CID 144773567) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde
PubChem CID144773567
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde
SMILESO=CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)6-1-3-12(4-2-6)7(14)5-13/h5-6H,1-4H2
InChIKeyGXPNGLWTBOUDOW-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde (CID 144773567) is 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde is O=CC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde?
The InChIKey is GXPNGLWTBOUDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)6-1-3-12(4-2-6)7(14)5-13/h5-6H,1-4H2.
What are the key properties of 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde?
2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde has a molecular weight of 209.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 144773567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).