5-(trifluoromethyl)-1H-quinazoline-2,4-dione

C9H5F3N2O2 — CID 34176126

IUPAC5-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)4-2-1-3-5-6(4)7(15)14-8(16)13-5/h1-3H,(H2,13,14,15,16)
InChIKeyMSAVDWKURUSWSQ-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.24
Rot. Bonds

About 5-(trifluoromethyl)-1H-quinazoline-2,4-dione

5-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 34176126) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.14 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID34176126
Molecular FormulaC9H5F3N2O2
Molecular Weight230.14 g/mol
Exact Mass230.03
IUPAC Name5-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)4-2-1-3-5-6(4)7(15)14-8(16)13-5/h1-3H,(H2,13,14,15,16)
InChIKeyMSAVDWKURUSWSQ-UHFFFAOYSA-N
XLogP1.24
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 34176126) is 5-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2c(C(F)(F)F)cccc2[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is MSAVDWKURUSWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)4-2-1-3-5-6(4)7(15)14-8(16)13-5/h1-3H,(H2,13,14,15,16).
What are the key properties of 5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
5-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 230.14 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 34176126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).