pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone

C12H7F3N2O2 — CID 105094681

IUPACpyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccnnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)19-10-4-2-1-3-9(10)11(18)8-5-6-16-17-7-8/h1-7H
InChIKeyRXLCIHXQHTYCOE-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.61
Rot. Bonds3

About pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone

pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 105094681) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namepyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID105094681
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Namepyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccnnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)19-10-4-2-1-3-9(10)11(18)8-5-6-16-17-7-8/h1-7H
InChIKeyRXLCIHXQHTYCOE-UHFFFAOYSA-N
XLogP2.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627438
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
[2-bromo-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627398
2-(trifluoromethoxy)benzoate
CID 6933714
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
CID 106647314
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 63553798
(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 59700140
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone (CID 105094681) is pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone is O=C(c1ccnnc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is RXLCIHXQHTYCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-12(14,15)19-10-4-2-1-3-9(10)11(18)8-5-6-16-17-7-8/h1-7H.
What are the key properties of pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 268.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 105094681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).