2,4-dichloro-5-fluoroquinazoline

C8H3Cl2FN2 — CID 34176231

IUPAC2,4-dichloro-5-fluoroquinazoline
SMILESFc1cccc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H3Cl2FN2/c9-7-6-4(11)2-1-3-5(6)12-8(10)13-7/h1-3H
InChIKeyAXMYGHKVWFFYCR-UHFFFAOYSA-N
MW217.03 g/mol
LogP3.08
Rot. Bonds

About 2,4-dichloro-5-fluoroquinazoline

2,4-dichloro-5-fluoroquinazoline (PubChem CID 34176231) has the molecular formula C8H3Cl2FN2 and a molecular weight of 217.03 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-5-fluoroquinazoline
PubChem CID34176231
Molecular FormulaC8H3Cl2FN2
Molecular Weight217.03 g/mol
Exact Mass215.97
IUPAC Name2,4-dichloro-5-fluoroquinazoline
SMILESFc1cccc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H3Cl2FN2/c9-7-6-4(11)2-1-3-5(6)12-8(10)13-7/h1-3H
InChIKeyAXMYGHKVWFFYCR-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoroquinazoline?
The IUPAC name of 2,4-dichloro-5-fluoroquinazoline (CID 34176231) is 2,4-dichloro-5-fluoroquinazoline.
What is the SMILES notation for 2,4-dichloro-5-fluoroquinazoline?
The canonical SMILES for 2,4-dichloro-5-fluoroquinazoline is Fc1cccc2nc(Cl)nc(Cl)c12.
What is the InChIKey of 2,4-dichloro-5-fluoroquinazoline?
The InChIKey is AXMYGHKVWFFYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2/c9-7-6-4(11)2-1-3-5(6)12-8(10)13-7/h1-3H.
What are the key properties of 2,4-dichloro-5-fluoroquinazoline?
2,4-dichloro-5-fluoroquinazoline has a molecular weight of 217.03 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoroquinazoline is sourced from PubChem (CID 34176231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).