6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione

C10H6F10N2O3 — CID 91396181

IUPAC6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)C(F)(F)F)c(=O)n1CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F10N2O3/c11-7(12,9(15,16)17)2-21-4(23)1-5(24)22(6(21)25)3-8(13,14)10(18,19)20/h1,23H,2-3H2
InChIKeyKABDKNXCOOMOAX-UHFFFAOYSA-N
MW392.15 g/mol
LogP2.11
Rot. Bonds4

About 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione

6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione (PubChem CID 91396181) has the molecular formula C10H6F10N2O3 and a molecular weight of 392.15 g/mol. Its IUPAC name is 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
PubChem CID91396181
Molecular FormulaC10H6F10N2O3
Molecular Weight392.15 g/mol
Exact Mass392.02
IUPAC Name6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)C(F)(F)F)c(=O)n1CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F10N2O3/c11-7(12,9(15,16)17)2-21-4(23)1-5(24)22(6(21)25)3-8(13,14)10(18,19)20/h1,23H,2-3H2
InChIKeyKABDKNXCOOMOAX-UHFFFAOYSA-N
XLogP2.11
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diethyl-6-hydroxypyrimidine-2,4-dione
CID 14496865
6-Hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 59482200
3-Ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 90819372
6-Hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
CID 123818741
5-Fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione
CID 123911770
6-Hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
CID 106290892
5-Fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
CID 106290900
5-Fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 112600571
1-Propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
CID 112741476
1-(3,3-Difluoropropyl)-6-hydroxypyrimidine-2,4-dione
CID 131132162
6-Hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 133675925
1,3-Bis(2,2,2-trifluoroethyl)pyrimidine-2,4(1H,3H)-dione
CID 168490288

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione (CID 91396181) is 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione is O=c1cc(O)n(CC(F)(F)C(F)(F)F)c(=O)n1CC(F)(F)C(F)(F)F.
What is the InChIKey of 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
The InChIKey is KABDKNXCOOMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F10N2O3/c11-7(12,9(15,16)17)2-21-4(23)1-5(24)22(6(21)25)3-8(13,14)10(18,19)20/h1,23H,2-3H2.
What are the key properties of 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione has a molecular weight of 392.15 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91396181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).