4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione

C9H7F3N2O2 — CID 46835360

IUPAC4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione
SMILESO=C1CCc2[nH]c(=O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)7-5-3-4(15)1-2-6(5)13-8(16)14-7/h1-3H2,(H,13,14,16)
InChIKeyHRFCMHNMHGZQTA-UHFFFAOYSA-N
MW232.16 g/mol
LogP0.85
Rot. Bonds

About 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione

4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione (PubChem CID 46835360) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione
PubChem CID46835360
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione
SMILESO=C1CCc2[nH]c(=O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)7-5-3-4(15)1-2-6(5)13-8(16)14-7/h1-3H2,(H,13,14,16)
InChIKeyHRFCMHNMHGZQTA-UHFFFAOYSA-N
XLogP0.85
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione?
The IUPAC name of 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione (CID 46835360) is 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione.
What is the SMILES notation for 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione?
The canonical SMILES for 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione is O=C1CCc2[nH]c(=O)nc(C(F)(F)F)c2C1.
What is the InChIKey of 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione?
The InChIKey is HRFCMHNMHGZQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)7-5-3-4(15)1-2-6(5)13-8(16)14-7/h1-3H2,(H,13,14,16).
What are the key properties of 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione?
4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione has a molecular weight of 232.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,5,7,8-tetrahydroquinazoline-2,6-dione is sourced from PubChem (CID 46835360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).