(4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one

C18H14F4N2O3 — CID 7745838

IUPAC(4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one
SMILESO=C1N[C@@H](c2ccccc2F)[C@@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1
InChIInChI=1S/C18H14F4N2O3/c19-12-9-5-4-8-11(12)14-13(15(25)18(20,21)22)17(27,24-16(26)23-14)10-6-2-1-3-7-10/h1-9,13-14,27H,(H2,23,24,26)/t13-,14-,17-/m0/s1
InChIKeyYGCFZXCKJVSFPF-ZQIUZPCESA-N
MW382.31 g/mol
LogP2.77
Rot. Bonds3

About (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one

(4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one (PubChem CID 7745838) has the molecular formula C18H14F4N2O3 and a molecular weight of 382.31 g/mol. Its IUPAC name is (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one
PubChem CID7745838
Molecular FormulaC18H14F4N2O3
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name(4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one
SMILESO=C1N[C@@H](c2ccccc2F)[C@@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1
InChIInChI=1S/C18H14F4N2O3/c19-12-9-5-4-8-11(12)14-13(15(25)18(20,21)22)17(27,24-16(26)23-14)10-6-2-1-3-7-10/h1-9,13-14,27H,(H2,23,24,26)/t13-,14-,17-/m0/s1
InChIKeyYGCFZXCKJVSFPF-ZQIUZPCESA-N
XLogP2.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
The IUPAC name of (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one (CID 7745838) is (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one.
What is the SMILES notation for (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
The canonical SMILES for (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one is O=C1N[C@@H](c2ccccc2F)[C@@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1.
What is the InChIKey of (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
The InChIKey is YGCFZXCKJVSFPF-ZQIUZPCESA-N. The full InChI is InChI=1S/C18H14F4N2O3/c19-12-9-5-4-8-11(12)14-13(15(25)18(20,21)22)17(27,24-16(26)23-14)10-6-2-1-3-7-10/h1-9,13-14,27H,(H2,23,24,26)/t13-,14-,17-/m0/s1.
What are the key properties of (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
(4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one has a molecular weight of 382.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one is sourced from PubChem (CID 7745838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).