phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone

C19H12F3NO — CID 135027797

IUPACphenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(C(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C19H12F3NO/c20-19(21,22)15-10-6-9-14(17(15)16-11-4-5-12-23-16)18(24)13-7-2-1-3-8-13/h1-12H
InChIKeyOIFCWCCRFZPQME-UHFFFAOYSA-N
MW327.31 g/mol
LogP5.00
Rot. Bonds3

About phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone

phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 135027797) has the molecular formula C19H12F3NO and a molecular weight of 327.31 g/mol. Its IUPAC name is phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone
PubChem CID135027797
Molecular FormulaC19H12F3NO
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Namephenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(C(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C19H12F3NO/c20-19(21,22)15-10-6-9-14(17(15)16-11-4-5-12-23-16)18(24)13-7-2-1-3-8-13/h1-12H
InChIKeyOIFCWCCRFZPQME-UHFFFAOYSA-N
XLogP5.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone (CID 135027797) is phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1)c1cccc(C(F)(F)F)c1-c1ccccn1.
What is the InChIKey of phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OIFCWCCRFZPQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO/c20-19(21,22)15-10-6-9-14(17(15)16-11-4-5-12-23-16)18(24)13-7-2-1-3-8-13/h1-12H.
What are the key properties of phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone?
phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 327.31 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 135027797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).