5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one

C11H11F3N2O2 — CID 123132951

IUPAC5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one
SMILESO=C1NC(c2ccc(C(F)(F)F)cc2)NCC1O
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(17)10(18)16-9/h1-4,8-9,15,17H,5H2,(H,16,18)
InChIKeySVGYLZFIJKQNGC-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.78
Rot. Bonds1

About 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one

5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one (PubChem CID 123132951) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one
PubChem CID123132951
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one
SMILESO=C1NC(c2ccc(C(F)(F)F)cc2)NCC1O
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(17)10(18)16-9/h1-4,8-9,15,17H,5H2,(H,16,18)
InChIKeySVGYLZFIJKQNGC-UHFFFAOYSA-N
XLogP0.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9260413, Example 8
CID 76028180
N-(4-methylbenzyl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56874859
US10085986, Example 33
CID 136215685
3-(2,4-Difluorobenzyl)tetrahydropyrimidin-4(1h)-one
CID 155294669
N-(2-fluorobenzyl)-N-(2-hydroxyethyl)-N'-[(1-isobutyrylpiperidin-4-yl)methyl]urea
CID 121496180
3-Benzyl-5-trifluoromethyldihydrouracil
CID 13313792
1-Benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 13457644
2-Acetyl-3-(4-fluorophenyl)-1,2,4-oxadiazinan-5-one
CID 13712529
N-Benzyl-3,3,3-trifluoro-2-hydroxypropanamide
CID 14436610
3-[(4-Fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione
CID 58122339
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(2-hydroxyacetyl)amino]-N-methylpiperidine-1-carboxamide
CID 89088829
3-[(4-Fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one
CID 91097823

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one?
The IUPAC name of 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one (CID 123132951) is 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one.
What is the SMILES notation for 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one?
The canonical SMILES for 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one is O=C1NC(c2ccc(C(F)(F)F)cc2)NCC1O.
What is the InChIKey of 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one?
The InChIKey is SVGYLZFIJKQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(17)10(18)16-9/h1-4,8-9,15,17H,5H2,(H,16,18).
What are the key properties of 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one?
5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one has a molecular weight of 260.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-diazinan-4-one is sourced from PubChem (CID 123132951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).