4-(trifluoromethyl)quinazolin-5-ol

C9H5F3N2O — CID 156598350

IUPAC4-(trifluoromethyl)quinazolin-5-ol
SMILESOc1cccc2ncnc(C(F)(F)F)c12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8-7-5(13-4-14-8)2-1-3-6(7)15/h1-4,15H
InChIKeyAMWXIXMIJWHJKP-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.35
Rot. Bonds

About 4-(trifluoromethyl)quinazolin-5-ol

4-(trifluoromethyl)quinazolin-5-ol (PubChem CID 156598350) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 4-(trifluoromethyl)quinazolin-5-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)quinazolin-5-ol
PubChem CID156598350
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name4-(trifluoromethyl)quinazolin-5-ol
SMILESOc1cccc2ncnc(C(F)(F)F)c12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8-7-5(13-4-14-8)2-1-3-6(7)15/h1-4,15H
InChIKeyAMWXIXMIJWHJKP-UHFFFAOYSA-N
XLogP2.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)quinazolin-5-ol?
The IUPAC name of 4-(trifluoromethyl)quinazolin-5-ol (CID 156598350) is 4-(trifluoromethyl)quinazolin-5-ol.
What is the SMILES notation for 4-(trifluoromethyl)quinazolin-5-ol?
The canonical SMILES for 4-(trifluoromethyl)quinazolin-5-ol is Oc1cccc2ncnc(C(F)(F)F)c12.
What is the InChIKey of 4-(trifluoromethyl)quinazolin-5-ol?
The InChIKey is AMWXIXMIJWHJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)8-7-5(13-4-14-8)2-1-3-6(7)15/h1-4,15H.
What are the key properties of 4-(trifluoromethyl)quinazolin-5-ol?
4-(trifluoromethyl)quinazolin-5-ol has a molecular weight of 214.15 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)quinazolin-5-ol is sourced from PubChem (CID 156598350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).