1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

C11H11F5N2O2 — CID 134592054

IUPAC1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H11F5N2O2/c12-10(13,11(14,15)16)5-18-7-4-2-1-3-6(7)8(19)17-9(18)20/h1-5H2,(H,17,19,20)
InChIKeyDWYUHIYMZWFBIA-UHFFFAOYSA-N
MW298.21 g/mol
LogP1.61
Rot. Bonds2

About 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 134592054) has the molecular formula C11H11F5N2O2 and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID134592054
Molecular FormulaC11H11F5N2O2
Molecular Weight298.21 g/mol
Exact Mass298.07
IUPAC Name1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H11F5N2O2/c12-10(13,11(14,15)16)5-18-7-4-2-1-3-6(7)8(19)17-9(18)20/h1-5H2,(H,17,19,20)
InChIKeyDWYUHIYMZWFBIA-UHFFFAOYSA-N
XLogP1.61
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 134592054) is 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is O=c1[nH]c(=O)n(CC(F)(F)C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is DWYUHIYMZWFBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O2/c12-10(13,11(14,15)16)5-18-7-4-2-1-3-6(7)8(19)17-9(18)20/h1-5H2,(H,17,19,20).
What are the key properties of 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 298.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,3-pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 134592054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).