4-chloro-8-fluoroquinazoline

C8H4ClFN2 — CID 19939133

IUPAC4-chloro-8-fluoroquinazoline
SMILESFc1cccc2c(Cl)ncnc12
InChIInChI=1S/C8H4ClFN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H
InChIKeyPLGWYJGWORFSFY-UHFFFAOYSA-N
MW182.59 g/mol
LogP2.42
Rot. Bonds

About 4-chloro-8-fluoroquinazoline

4-chloro-8-fluoroquinazoline (PubChem CID 19939133) has the molecular formula C8H4ClFN2 and a molecular weight of 182.59 g/mol. Its IUPAC name is 4-chloro-8-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-8-fluoroquinazoline
PubChem CID19939133
Molecular FormulaC8H4ClFN2
Molecular Weight182.59 g/mol
Exact Mass182.00
IUPAC Name4-chloro-8-fluoroquinazoline
SMILESFc1cccc2c(Cl)ncnc12
InChIInChI=1S/C8H4ClFN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H
InChIKeyPLGWYJGWORFSFY-UHFFFAOYSA-N
XLogP2.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.59
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoroquinazoline?
The IUPAC name of 4-chloro-8-fluoroquinazoline (CID 19939133) is 4-chloro-8-fluoroquinazoline.
What is the SMILES notation for 4-chloro-8-fluoroquinazoline?
The canonical SMILES for 4-chloro-8-fluoroquinazoline is Fc1cccc2c(Cl)ncnc12.
What is the InChIKey of 4-chloro-8-fluoroquinazoline?
The InChIKey is PLGWYJGWORFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H.
What are the key properties of 4-chloro-8-fluoroquinazoline?
4-chloro-8-fluoroquinazoline has a molecular weight of 182.59 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoroquinazoline is sourced from PubChem (CID 19939133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).