3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione

C10H11F5N2O2 — CID 167416067

IUPAC3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(=O)cc(C(F)(F)F)n(C(F)F)c1=O
InChIInChI=1S/C10H11F5N2O2/c1-9(2,3)17-6(18)4-5(10(13,14)15)16(7(11)12)8(17)19/h4,7H,1-3H3
InChIKeyNVIZUSOQOMWDDR-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.18
Rot. Bonds1

About 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione

3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 167416067) has the molecular formula C10H11F5N2O2 and a molecular weight of 286.20 g/mol. Its IUPAC name is 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID167416067
Molecular FormulaC10H11F5N2O2
Molecular Weight286.20 g/mol
Exact Mass286.07
IUPAC Name3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(=O)cc(C(F)(F)F)n(C(F)F)c1=O
InChIInChI=1S/C10H11F5N2O2/c1-9(2,3)17-6(18)4-5(10(13,14)15)16(7(11)12)8(17)19/h4,7H,1-3H3
InChIKeyNVIZUSOQOMWDDR-UHFFFAOYSA-N
XLogP2.18
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 167416067) is 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione is CC(C)(C)n1c(=O)cc(C(F)(F)F)n(C(F)F)c1=O.
What is the InChIKey of 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is NVIZUSOQOMWDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O2/c1-9(2,3)17-6(18)4-5(10(13,14)15)16(7(11)12)8(17)19/h4,7H,1-3H3.
What are the key properties of 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 286.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(difluoromethyl)-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 167416067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).