6,8-difluoroquinazoline

C8H4F2N2 — CID 171373759

IUPAC6,8-difluoroquinazoline
SMILESFc1cc(F)c2ncncc2c1
InChIInChI=1S/C8H4F2N2/c9-6-1-5-3-11-4-12-8(5)7(10)2-6/h1-4H
InChIKeyOPEVVUHHBJDJEX-UHFFFAOYSA-N
MW166.13 g/mol
LogP1.91
Rot. Bonds

About 6,8-difluoroquinazoline

6,8-difluoroquinazoline (PubChem CID 171373759) has the molecular formula C8H4F2N2 and a molecular weight of 166.13 g/mol. Its IUPAC name is 6,8-difluoroquinazoline.

Molecular Properties

Compound Name6,8-difluoroquinazoline
PubChem CID171373759
Molecular FormulaC8H4F2N2
Molecular Weight166.13 g/mol
Exact Mass166.03
IUPAC Name6,8-difluoroquinazoline
SMILESFc1cc(F)c2ncncc2c1
InChIInChI=1S/C8H4F2N2/c9-6-1-5-3-11-4-12-8(5)7(10)2-6/h1-4H
InChIKeyOPEVVUHHBJDJEX-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoroquinazoline?
The IUPAC name of 6,8-difluoroquinazoline (CID 171373759) is 6,8-difluoroquinazoline.
What is the SMILES notation for 6,8-difluoroquinazoline?
The canonical SMILES for 6,8-difluoroquinazoline is Fc1cc(F)c2ncncc2c1.
What is the InChIKey of 6,8-difluoroquinazoline?
The InChIKey is OPEVVUHHBJDJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2/c9-6-1-5-3-11-4-12-8(5)7(10)2-6/h1-4H.
What are the key properties of 6,8-difluoroquinazoline?
6,8-difluoroquinazoline has a molecular weight of 166.13 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoroquinazoline is sourced from PubChem (CID 171373759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).