1-(difluoromethoxy)phthalazine

C9H6F2N2O — CID 141095011

IUPAC1-(difluoromethoxy)phthalazine
SMILESFC(F)Oc1nncc2ccccc12
InChIInChI=1S/C9H6F2N2O/c10-9(11)14-8-7-4-2-1-3-6(7)5-12-13-8/h1-5,9H
InChIKeyUKQPJJXVOKLXLE-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.23
Rot. Bonds2

About 1-(difluoromethoxy)phthalazine

1-(difluoromethoxy)phthalazine (PubChem CID 141095011) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 1-(difluoromethoxy)phthalazine.

Molecular Properties

Compound Name1-(difluoromethoxy)phthalazine
PubChem CID141095011
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name1-(difluoromethoxy)phthalazine
SMILESFC(F)Oc1nncc2ccccc12
InChIInChI=1S/C9H6F2N2O/c10-9(11)14-8-7-4-2-1-3-6(7)5-12-13-8/h1-5,9H
InChIKeyUKQPJJXVOKLXLE-UHFFFAOYSA-N
XLogP2.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)phthalazine?
The IUPAC name of 1-(difluoromethoxy)phthalazine (CID 141095011) is 1-(difluoromethoxy)phthalazine.
What is the SMILES notation for 1-(difluoromethoxy)phthalazine?
The canonical SMILES for 1-(difluoromethoxy)phthalazine is FC(F)Oc1nncc2ccccc12.
What is the InChIKey of 1-(difluoromethoxy)phthalazine?
The InChIKey is UKQPJJXVOKLXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-9(11)14-8-7-4-2-1-3-6(7)5-12-13-8/h1-5,9H.
What are the key properties of 1-(difluoromethoxy)phthalazine?
1-(difluoromethoxy)phthalazine has a molecular weight of 196.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)phthalazine is sourced from PubChem (CID 141095011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).