1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione

C20H14Cl2F4N2O3 — CID 91449846

IUPAC1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)c2cccc(Cl)c2)c(=O)n1CC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2F4N2O3/c21-14-5-1-3-12(7-14)19(23,24)10-27-16(29)9-17(30)28(18(27)31)11-20(25,26)13-4-2-6-15(22)8-13/h1-9,29H,10-11H2
InChIKeyAFMFFTGVNBDLMI-UHFFFAOYSA-N
MW477.24 g/mol
LogP4.61
Rot. Bonds6

About 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione

1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 91449846) has the molecular formula C20H14Cl2F4N2O3 and a molecular weight of 477.24 g/mol. Its IUPAC name is 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID91449846
Molecular FormulaC20H14Cl2F4N2O3
Molecular Weight477.24 g/mol
Exact Mass476.03
IUPAC Name1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)c2cccc(Cl)c2)c(=O)n1CC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2F4N2O3/c21-14-5-1-3-12(7-14)19(23,24)10-27-16(29)9-17(30)28(18(27)31)11-20(25,26)13-4-2-6-15(22)8-13/h1-9,29H,10-11H2
InChIKeyAFMFFTGVNBDLMI-UHFFFAOYSA-N
XLogP4.61
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione (CID 91449846) is 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione is O=c1cc(O)n(CC(F)(F)c2cccc(Cl)c2)c(=O)n1CC(F)(F)c1cccc(Cl)c1.
What is the InChIKey of 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is AFMFFTGVNBDLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F4N2O3/c21-14-5-1-3-12(7-14)19(23,24)10-27-16(29)9-17(30)28(18(27)31)11-20(25,26)13-4-2-6-15(22)8-13/h1-9,29H,10-11H2.
What are the key properties of 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione?
1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 477.24 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 91449846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).