4-chloro-5-fluoroquinazoline

C8H4ClFN2 — CID 11974445

IUPAC4-chloro-5-fluoroquinazoline
SMILESFc1cccc2ncnc(Cl)c12
InChIInChI=1S/C8H4ClFN2/c9-8-7-5(10)2-1-3-6(7)11-4-12-8/h1-4H
InChIKeyNRVNUZHSKMEHOT-UHFFFAOYSA-N
MW182.59 g/mol
LogP2.42
Rot. Bonds

About 4-chloro-5-fluoroquinazoline

4-chloro-5-fluoroquinazoline (PubChem CID 11974445) has the molecular formula C8H4ClFN2 and a molecular weight of 182.59 g/mol. Its IUPAC name is 4-chloro-5-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-5-fluoroquinazoline
PubChem CID11974445
Molecular FormulaC8H4ClFN2
Molecular Weight182.59 g/mol
Exact Mass182.00
IUPAC Name4-chloro-5-fluoroquinazoline
SMILESFc1cccc2ncnc(Cl)c12
InChIInChI=1S/C8H4ClFN2/c9-8-7-5(10)2-1-3-6(7)11-4-12-8/h1-4H
InChIKeyNRVNUZHSKMEHOT-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-5-fluoroquinazoline?
The IUPAC name of 4-chloro-5-fluoroquinazoline (CID 11974445) is 4-chloro-5-fluoroquinazoline.
What is the SMILES notation for 4-chloro-5-fluoroquinazoline?
The canonical SMILES for 4-chloro-5-fluoroquinazoline is Fc1cccc2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-fluoroquinazoline?
The InChIKey is NRVNUZHSKMEHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2/c9-8-7-5(10)2-1-3-6(7)11-4-12-8/h1-4H.
What are the key properties of 4-chloro-5-fluoroquinazoline?
4-chloro-5-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-5-fluoroquinazoline is sourced from PubChem (CID 11974445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).