(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C15H12F3NO — CID 105085929

IUPAC(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCCc1ccc(C(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H12F3NO/c1-2-10-3-5-11(6-4-10)14(20)13-8-7-12(9-19-13)15(16,17)18/h3-9H,2H2,1H3
InChIKeyBTEVMMADBQRMIZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.89
Rot. Bonds3

About (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 105085929) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID105085929
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCCc1ccc(C(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H12F3NO/c1-2-10-3-5-11(6-4-10)14(20)13-8-7-12(9-19-13)15(16,17)18/h3-9H,2H2,1H3
InChIKeyBTEVMMADBQRMIZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 105085929) is (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is CCc1ccc(C(=O)c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is BTEVMMADBQRMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-2-10-3-5-11(6-4-10)14(20)13-8-7-12(9-19-13)15(16,17)18/h3-9H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 279.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 105085929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).