(6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione

C14H10F3NO3 — CID 69005349

IUPAC(6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
SMILESO=C1OCC2=CCC[C@@H](c3cc(F)c(F)c(F)c3)N2C1=O
InChIInChI=1S/C14H10F3NO3/c15-9-4-7(5-10(16)12(9)17)11-3-1-2-8-6-21-14(20)13(19)18(8)11/h2,4-5,11H,1,3,6H2/t11-/m0/s1
InChIKeyIPHWLYIKTPRFNC-NSHDSACASA-N
MW297.23 g/mol
LogP2.21
Rot. Bonds1

About (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione

(6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione (PubChem CID 69005349) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione.

Molecular Properties

Compound Name(6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
PubChem CID69005349
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name(6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
SMILESO=C1OCC2=CCC[C@@H](c3cc(F)c(F)c(F)c3)N2C1=O
InChIInChI=1S/C14H10F3NO3/c15-9-4-7(5-10(16)12(9)17)11-3-1-2-8-6-21-14(20)13(19)18(8)11/h2,4-5,11H,1,3,6H2/t11-/m0/s1
InChIKeyIPHWLYIKTPRFNC-NSHDSACASA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
The IUPAC name of (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione (CID 69005349) is (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione.
What is the SMILES notation for (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
The canonical SMILES for (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione is O=C1OCC2=CCC[C@@H](c3cc(F)c(F)c(F)c3)N2C1=O.
What is the InChIKey of (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
The InChIKey is IPHWLYIKTPRFNC-NSHDSACASA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-9-4-7(5-10(16)12(9)17)11-3-1-2-8-6-21-14(20)13(19)18(8)11/h2,4-5,11H,1,3,6H2/t11-/m0/s1.
What are the key properties of (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
(6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione has a molecular weight of 297.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione is sourced from PubChem (CID 69005349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).