6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione

C10H6ClF3N2O2 — CID 22347996

IUPAC6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)F)c2ccc(Cl)cc12
InChIInChI=1S/C10H6ClF3N2O2/c11-5-1-2-7-6(3-5)8(17)15-9(18)16(7)4-10(12,13)14/h1-3H,4H2,(H,15,17,18)
InChIKeyQEBRKKXXTUCDKD-UHFFFAOYSA-N
MW278.62 g/mol
LogP1.91
Rot. Bonds1

About 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione

6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione (PubChem CID 22347996) has the molecular formula C10H6ClF3N2O2 and a molecular weight of 278.62 g/mol. Its IUPAC name is 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione
PubChem CID22347996
Molecular FormulaC10H6ClF3N2O2
Molecular Weight278.62 g/mol
Exact Mass278.01
IUPAC Name6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)F)c2ccc(Cl)cc12
InChIInChI=1S/C10H6ClF3N2O2/c11-5-1-2-7-6(3-5)8(17)15-9(18)16(7)4-10(12,13)14/h1-3H,4H2,(H,15,17,18)
InChIKeyQEBRKKXXTUCDKD-UHFFFAOYSA-N
XLogP1.91
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione?
The IUPAC name of 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione (CID 22347996) is 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(CC(F)(F)F)c2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione?
The InChIKey is QEBRKKXXTUCDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O2/c11-5-1-2-7-6(3-5)8(17)15-9(18)16(7)4-10(12,13)14/h1-3H,4H2,(H,15,17,18).
What are the key properties of 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione?
6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione has a molecular weight of 278.62 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione is sourced from PubChem (CID 22347996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).