5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione

C10H3F13N2O3 — CID 123911770

IUPAC5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1c(F)c(O)n(C(C(F)(F)F)C(F)(F)F)c(=O)n1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F13N2O3/c11-1-2(26)24(4(7(12,13)14)8(15,16)17)6(28)25(3(1)27)5(9(18,19)20)10(21,22)23/h4-5,26H
InChIKeyRHMKKHIJFZCAJD-UHFFFAOYSA-N
MW446.12 g/mol
LogP3.19
Rot. Bonds2

About 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione

5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 123911770) has the molecular formula C10H3F13N2O3 and a molecular weight of 446.12 g/mol. Its IUPAC name is 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione
PubChem CID123911770
Molecular FormulaC10H3F13N2O3
Molecular Weight446.12 g/mol
Exact Mass445.99
IUPAC Name5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1c(F)c(O)n(C(C(F)(F)F)C(F)(F)F)c(=O)n1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F13N2O3/c11-1-2(26)24(4(7(12,13)14)8(15,16)17)6(28)25(3(1)27)5(9(18,19)20)10(21,22)23/h4-5,26H
InChIKeyRHMKKHIJFZCAJD-UHFFFAOYSA-N
XLogP3.19
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione with MolForge

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Related Compounds

6-Hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 59482200
6-Hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
CID 91396181
6-Hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
CID 123818741
5-Fluoro-6-hydroxy-1-(4,4,4-trifluorobutan-2-yl)pyrimidine-2,4-dione
CID 105926822
5-Fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 112599020

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione (CID 123911770) is 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione is O=c1c(F)c(O)n(C(C(F)(F)F)C(F)(F)F)c(=O)n1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RHMKKHIJFZCAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F13N2O3/c11-1-2(26)24(4(7(12,13)14)8(15,16)17)6(28)25(3(1)27)5(9(18,19)20)10(21,22)23/h4-5,26H.
What are the key properties of 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione?
5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 446.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 123911770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).