8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol

C9H7F3N2O — CID 171384512

IUPAC8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
SMILESOC1N=CNc2c1cccc2C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-3-1-2-5-7(6)13-4-14-8(5)15/h1-4,8,15H,(H,13,14)
InChIKeyNBPBXPDHAYOPBS-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.15
Rot. Bonds

About 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol

8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol (PubChem CID 171384512) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
PubChem CID171384512
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
SMILESOC1N=CNc2c1cccc2C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-3-1-2-5-7(6)13-4-14-8(5)15/h1-4,8,15H,(H,13,14)
InChIKeyNBPBXPDHAYOPBS-UHFFFAOYSA-N
XLogP2.15
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The IUPAC name of 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol (CID 171384512) is 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol.
What is the SMILES notation for 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The canonical SMILES for 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol is OC1N=CNc2c1cccc2C(F)(F)F.
What is the InChIKey of 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The InChIKey is NBPBXPDHAYOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)6-3-1-2-5-7(6)13-4-14-8(5)15/h1-4,8,15H,(H,13,14).
What are the key properties of 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol has a molecular weight of 216.16 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol is sourced from PubChem (CID 171384512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).