1-(3,3-difluoropropyl)pyrimidine-2,4-dione

C7H8F2N2O2 — CID 164871461

IUPAC1-(3,3-difluoropropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c8-5(9)1-3-11-4-2-6(12)10-7(11)13/h2,4-5H,1,3H2,(H,10,12,13)
InChIKeyXPPDNDZMKTYOSQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.19
Rot. Bonds3

About 1-(3,3-difluoropropyl)pyrimidine-2,4-dione

1-(3,3-difluoropropyl)pyrimidine-2,4-dione (PubChem CID 164871461) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)pyrimidine-2,4-dione
PubChem CID164871461
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name1-(3,3-difluoropropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c8-5(9)1-3-11-4-2-6(12)10-7(11)13/h2,4-5H,1,3H2,(H,10,12,13)
InChIKeyXPPDNDZMKTYOSQ-UHFFFAOYSA-N
XLogP0.19
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3,3-difluoropropyl)pyrimidine-2,4-dione (CID 164871461) is 1-(3,3-difluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,3-difluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,3-difluoropropyl)pyrimidine-2,4-dione is O=c1ccn(CCC(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(3,3-difluoropropyl)pyrimidine-2,4-dione?
The InChIKey is XPPDNDZMKTYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-5(9)1-3-11-4-2-6(12)10-7(11)13/h2,4-5H,1,3H2,(H,10,12,13).
What are the key properties of 1-(3,3-difluoropropyl)pyrimidine-2,4-dione?
1-(3,3-difluoropropyl)pyrimidine-2,4-dione has a molecular weight of 190.15 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 164871461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).