8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione

C8H8F2N2O2 — CID 154663254

IUPAC8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCCC2(F)F
InChIInChI=1S/C8H8F2N2O2/c9-8(10)3-1-2-4-5(8)11-7(14)12-6(4)13/h1-3H2,(H2,11,12,13,14)
InChIKeyKHRVRUOYCIYSGQ-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.49
Rot. Bonds

About 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione

8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione (PubChem CID 154663254) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione
PubChem CID154663254
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCCC2(F)F
InChIInChI=1S/C8H8F2N2O2/c9-8(10)3-1-2-4-5(8)11-7(14)12-6(4)13/h1-3H2,(H2,11,12,13,14)
InChIKeyKHRVRUOYCIYSGQ-UHFFFAOYSA-N
XLogP0.49
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione (CID 154663254) is 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)CCCC2(F)F.
What is the InChIKey of 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione?
The InChIKey is KHRVRUOYCIYSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10)3-1-2-4-5(8)11-7(14)12-6(4)13/h1-3H2,(H2,11,12,13,14).
What are the key properties of 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione?
8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione has a molecular weight of 202.16 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1,5,6,7-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 154663254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).