4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline

C10H2Cl3F5N2 — CID 63086208

IUPAC4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
SMILESFC(F)(F)C(F)(F)c1nc(Cl)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C10H2Cl3F5N2/c11-3-1-4-6(5(12)2-3)19-8(20-7(4)13)9(14,15)10(16,17)18/h1-2H
InChIKeyAFDXJYHYDSODIG-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.24
Rot. Bonds1

About 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline

4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline (PubChem CID 63086208) has the molecular formula C10H2Cl3F5N2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline.

Molecular Properties

Compound Name4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
PubChem CID63086208
Molecular FormulaC10H2Cl3F5N2
Molecular Weight351.49 g/mol
Exact Mass349.92
IUPAC Name4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
SMILESFC(F)(F)C(F)(F)c1nc(Cl)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C10H2Cl3F5N2/c11-3-1-4-6(5(12)2-3)19-8(20-7(4)13)9(14,15)10(16,17)18/h1-2H
InChIKeyAFDXJYHYDSODIG-UHFFFAOYSA-N
XLogP5.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
The IUPAC name of 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline (CID 63086208) is 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline.
What is the SMILES notation for 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
The canonical SMILES for 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline is FC(F)(F)C(F)(F)c1nc(Cl)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
The InChIKey is AFDXJYHYDSODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2Cl3F5N2/c11-3-1-4-6(5(12)2-3)19-8(20-7(4)13)9(14,15)10(16,17)18/h1-2H.
What are the key properties of 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline has a molecular weight of 351.49 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline is sourced from PubChem (CID 63086208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).