7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one

C10H12F2N2O — CID 155364212

IUPAC7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one
SMILESCc1n[nH]c(=O)c2c1CC(C)C(F)(F)C2
InChIInChI=1S/C10H12F2N2O/c1-5-3-7-6(2)13-14-9(15)8(7)4-10(5,11)12/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyQRINLMGKUMHONE-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.45
Rot. Bonds

About 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one

7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one (PubChem CID 155364212) has the molecular formula C10H12F2N2O and a molecular weight of 214.21 g/mol. Its IUPAC name is 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one.

Molecular Properties

Compound Name7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one
PubChem CID155364212
Molecular FormulaC10H12F2N2O
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one
SMILESCc1n[nH]c(=O)c2c1CC(C)C(F)(F)C2
InChIInChI=1S/C10H12F2N2O/c1-5-3-7-6(2)13-14-9(15)8(7)4-10(5,11)12/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyQRINLMGKUMHONE-UHFFFAOYSA-N
XLogP1.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one?
The IUPAC name of 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one (CID 155364212) is 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one.
What is the SMILES notation for 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one?
The canonical SMILES for 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one is Cc1n[nH]c(=O)c2c1CC(C)C(F)(F)C2.
What is the InChIKey of 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one?
The InChIKey is QRINLMGKUMHONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-5-3-7-6(2)13-14-9(15)8(7)4-10(5,11)12/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one?
7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one has a molecular weight of 214.21 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one is sourced from PubChem (CID 155364212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).