2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal

C15H11F4NO — CID 174326305

IUPAC2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
SMILESO=CC(Cc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H11F4NO/c16-13-4-1-10(2-5-13)11(9-21)7-14-6-3-12(8-20-14)15(17,18)19/h1-6,8-9,11H,7H2
InChIKeyDNLLEAQAVCNGPA-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal

2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal (PubChem CID 174326305) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
PubChem CID174326305
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
SMILESO=CC(Cc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H11F4NO/c16-13-4-1-10(2-5-13)11(9-21)7-14-6-3-12(8-20-14)15(17,18)19/h1-6,8-9,11H,7H2
InChIKeyDNLLEAQAVCNGPA-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.76
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 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?
The IUPAC name of 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal (CID 174326305) is 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?
The canonical SMILES for 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal is O=CC(Cc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?
The InChIKey is DNLLEAQAVCNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c16-13-4-1-10(2-5-13)11(9-21)7-14-6-3-12(8-20-14)15(17,18)19/h1-6,8-9,11H,7H2.
What are the key properties of 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?
2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal has a molecular weight of 297.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal is sourced from PubChem (CID 174326305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).