4-[4-(trifluoromethyl)phenoxy]quinazoline

C15H9F3N2O — CID 42605866

IUPAC4-[4-(trifluoromethyl)phenoxy]quinazoline
SMILESFC(F)(F)c1ccc(Oc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-5-7-11(8-6-10)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H
InChIKeyHPQRBWFTCBQGSN-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.44
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]quinazoline

4-[4-(trifluoromethyl)phenoxy]quinazoline (PubChem CID 42605866) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]quinazoline.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]quinazoline
PubChem CID42605866
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name4-[4-(trifluoromethyl)phenoxy]quinazoline
SMILESFC(F)(F)c1ccc(Oc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-5-7-11(8-6-10)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H
InChIKeyHPQRBWFTCBQGSN-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]quinazoline?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]quinazoline (CID 42605866) is 4-[4-(trifluoromethyl)phenoxy]quinazoline.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]quinazoline?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]quinazoline is FC(F)(F)c1ccc(Oc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]quinazoline?
The InChIKey is HPQRBWFTCBQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)10-5-7-11(8-6-10)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H.
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]quinazoline?
4-[4-(trifluoromethyl)phenoxy]quinazoline has a molecular weight of 290.24 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]quinazoline is sourced from PubChem (CID 42605866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).