4-chloro-2-(chloromethyl)-5-fluoroquinazoline

C9H5Cl2FN2 — CID 87480846

IUPAC4-chloro-2-(chloromethyl)-5-fluoroquinazoline
SMILESFc1cccc2nc(CCl)nc(Cl)c12
InChIInChI=1S/C9H5Cl2FN2/c10-4-7-13-6-3-1-2-5(12)8(6)9(11)14-7/h1-3H,4H2
InChIKeyHHFIIWMIARIPPA-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.16
Rot. Bonds1

About 4-chloro-2-(chloromethyl)-5-fluoroquinazoline

4-chloro-2-(chloromethyl)-5-fluoroquinazoline (PubChem CID 87480846) has the molecular formula C9H5Cl2FN2 and a molecular weight of 231.06 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-5-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-5-fluoroquinazoline
PubChem CID87480846
Molecular FormulaC9H5Cl2FN2
Molecular Weight231.06 g/mol
Exact Mass229.98
IUPAC Name4-chloro-2-(chloromethyl)-5-fluoroquinazoline
SMILESFc1cccc2nc(CCl)nc(Cl)c12
InChIInChI=1S/C9H5Cl2FN2/c10-4-7-13-6-3-1-2-5(12)8(6)9(11)14-7/h1-3H,4H2
InChIKeyHHFIIWMIARIPPA-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-5-fluoroquinazoline?
The IUPAC name of 4-chloro-2-(chloromethyl)-5-fluoroquinazoline (CID 87480846) is 4-chloro-2-(chloromethyl)-5-fluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-5-fluoroquinazoline?
The canonical SMILES for 4-chloro-2-(chloromethyl)-5-fluoroquinazoline is Fc1cccc2nc(CCl)nc(Cl)c12.
What is the InChIKey of 4-chloro-2-(chloromethyl)-5-fluoroquinazoline?
The InChIKey is HHFIIWMIARIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2/c10-4-7-13-6-3-1-2-5(12)8(6)9(11)14-7/h1-3H,4H2.
What are the key properties of 4-chloro-2-(chloromethyl)-5-fluoroquinazoline?
4-chloro-2-(chloromethyl)-5-fluoroquinazoline has a molecular weight of 231.06 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-5-fluoroquinazoline is sourced from PubChem (CID 87480846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).