4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one

C8H7F3N2O — CID 164871645

IUPAC4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one
SMILESO=c1cc(C2(C(F)(F)F)CC2)cn[nH]1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(1-2-7)5-3-6(14)13-12-4-5/h3-4H,1-2H2,(H,13,14)
InChIKeyQCIFAUINIZTXNE-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.36
Rot. Bonds1

About 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one

4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one (PubChem CID 164871645) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one
PubChem CID164871645
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one
SMILESO=c1cc(C2(C(F)(F)F)CC2)cn[nH]1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(1-2-7)5-3-6(14)13-12-4-5/h3-4H,1-2H2,(H,13,14)
InChIKeyQCIFAUINIZTXNE-UHFFFAOYSA-N
XLogP1.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one?
The IUPAC name of 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one (CID 164871645) is 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one is O=c1cc(C2(C(F)(F)F)CC2)cn[nH]1.
What is the InChIKey of 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one?
The InChIKey is QCIFAUINIZTXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7(1-2-7)5-3-6(14)13-12-4-5/h3-4H,1-2H2,(H,13,14).
What are the key properties of 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one?
4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one has a molecular weight of 204.15 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(trifluoromethyl)cyclopropyl]-1H-pyridazin-6-one is sourced from PubChem (CID 164871645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).