4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline

C15H8Cl3FN2O — CID 54769137

IUPAC4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline
SMILESFc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C15H8Cl3FN2O/c16-15(17,18)14-20-11-7-3-1-5-9(11)13(21-14)22-12-8-4-2-6-10(12)19/h1-8H
InChIKeyAUJVONGVSBFKDQ-UHFFFAOYSA-N
MW357.60 g/mol
LogP5.39
Rot. Bonds2

About 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline

4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline (PubChem CID 54769137) has the molecular formula C15H8Cl3FN2O and a molecular weight of 357.60 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline
PubChem CID54769137
Molecular FormulaC15H8Cl3FN2O
Molecular Weight357.60 g/mol
Exact Mass355.97
IUPAC Name4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline
SMILESFc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C15H8Cl3FN2O/c16-15(17,18)14-20-11-7-3-1-5-9(11)13(21-14)22-12-8-4-2-6-10(12)19/h1-8H
InChIKeyAUJVONGVSBFKDQ-UHFFFAOYSA-N
XLogP5.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.60
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline?
The IUPAC name of 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline (CID 54769137) is 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline.
What is the SMILES notation for 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline?
The canonical SMILES for 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline is Fc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12.
What is the InChIKey of 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline?
The InChIKey is AUJVONGVSBFKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3FN2O/c16-15(17,18)14-20-11-7-3-1-5-9(11)13(21-14)22-12-8-4-2-6-10(12)19/h1-8H.
What are the key properties of 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline?
4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline has a molecular weight of 357.60 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-2-(trichloromethyl)quinazoline is sourced from PubChem (CID 54769137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).