1-chloro-5,6-difluorophthalazine

C8H3ClF2N2 — CID 167716175

IUPAC1-chloro-5,6-difluorophthalazine
SMILESFc1ccc2c(Cl)nncc2c1F
InChIInChI=1S/C8H3ClF2N2/c9-8-4-1-2-6(10)7(11)5(4)3-12-13-8/h1-3H
InChIKeyYLWRAPHWQLEBME-UHFFFAOYSA-N
MW200.58 g/mol
LogP2.56
Rot. Bonds

About 1-chloro-5,6-difluorophthalazine

1-chloro-5,6-difluorophthalazine (PubChem CID 167716175) has the molecular formula C8H3ClF2N2 and a molecular weight of 200.58 g/mol. Its IUPAC name is 1-chloro-5,6-difluorophthalazine.

Molecular Properties

Compound Name1-chloro-5,6-difluorophthalazine
PubChem CID167716175
Molecular FormulaC8H3ClF2N2
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name1-chloro-5,6-difluorophthalazine
SMILESFc1ccc2c(Cl)nncc2c1F
InChIInChI=1S/C8H3ClF2N2/c9-8-4-1-2-6(10)7(11)5(4)3-12-13-8/h1-3H
InChIKeyYLWRAPHWQLEBME-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-5,6-difluorophthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,6-difluorophthalazine?
The IUPAC name of 1-chloro-5,6-difluorophthalazine (CID 167716175) is 1-chloro-5,6-difluorophthalazine.
What is the SMILES notation for 1-chloro-5,6-difluorophthalazine?
The canonical SMILES for 1-chloro-5,6-difluorophthalazine is Fc1ccc2c(Cl)nncc2c1F.
What is the InChIKey of 1-chloro-5,6-difluorophthalazine?
The InChIKey is YLWRAPHWQLEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2/c9-8-4-1-2-6(10)7(11)5(4)3-12-13-8/h1-3H.
What are the key properties of 1-chloro-5,6-difluorophthalazine?
1-chloro-5,6-difluorophthalazine has a molecular weight of 200.58 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,6-difluorophthalazine is sourced from PubChem (CID 167716175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).