4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde

C14H13F4NO2 — CID 166170822

IUPAC4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H13F4NO2/c15-13(5-7-19(9-20)8-6-13)12(21)10-1-3-11(4-2-10)14(16,17)18/h1-4,9H,5-8H2
InChIKeyCHBARXWSPJNUKK-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.85
Rot. Bonds3

About 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde

4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde (PubChem CID 166170822) has the molecular formula C14H13F4NO2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde
PubChem CID166170822
Molecular FormulaC14H13F4NO2
Molecular Weight303.25 g/mol
Exact Mass303.09
IUPAC Name4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H13F4NO2/c15-13(5-7-19(9-20)8-6-13)12(21)10-1-3-11(4-2-10)14(16,17)18/h1-4,9H,5-8H2
InChIKeyCHBARXWSPJNUKK-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.85
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 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde (CID 166170822) is 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde is O=CN1CCC(F)(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde?
The InChIKey is CHBARXWSPJNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c15-13(5-7-19(9-20)8-6-13)12(21)10-1-3-11(4-2-10)14(16,17)18/h1-4,9H,5-8H2.
What are the key properties of 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde?
4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde has a molecular weight of 303.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 166170822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).