pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone

C12H7F3N2O — CID 105095554

IUPACpyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccnnc1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)10-3-1-8(2-4-10)11(18)9-5-6-16-17-7-9/h1-7H
InChIKeyATZFBDNMBDMEMF-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.73
Rot. Bonds2

About pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone

pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 105095554) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID105095554
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Namepyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccnnc1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)10-3-1-8(2-4-10)11(18)9-5-6-16-17-7-9/h1-7H
InChIKeyATZFBDNMBDMEMF-UHFFFAOYSA-N
XLogP2.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
CID 107291233
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
CID 161391832
CID 161391832
[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone
CID 116601926
(4-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105093922
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 10038071
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone (CID 105095554) is pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1ccnnc1.
What is the InChIKey of pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ATZFBDNMBDMEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)10-3-1-8(2-4-10)11(18)9-5-6-16-17-7-9/h1-7H.
What are the key properties of pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 252.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 105095554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).