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

C14H11F2NO3 — CID 69009504

IUPAC(6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
SMILESO=C1OCC2=CCC[C@@H](c3ccc(F)c(F)c3)N2C1=O
InChIInChI=1S/C14H11F2NO3/c15-10-5-4-8(6-11(10)16)12-3-1-2-9-7-20-14(19)13(18)17(9)12/h2,4-6,12H,1,3,7H2/t12-/m0/s1
InChIKeyJQSOZMVVDIKCED-LBPRGKRZSA-N
MW279.24 g/mol
LogP2.07
Rot. Bonds1

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

(6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione (PubChem CID 69009504) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione.

Molecular Properties

Compound Name(6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
PubChem CID69009504
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name(6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
SMILESO=C1OCC2=CCC[C@@H](c3ccc(F)c(F)c3)N2C1=O
InChIInChI=1S/C14H11F2NO3/c15-10-5-4-8(6-11(10)16)12-3-1-2-9-7-20-14(19)13(18)17(9)12/h2,4-6,12H,1,3,7H2/t12-/m0/s1
InChIKeyJQSOZMVVDIKCED-LBPRGKRZSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
The IUPAC name of (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione (CID 69009504) is (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione.
What is the SMILES notation for (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
The canonical SMILES for (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione is O=C1OCC2=CCC[C@@H](c3ccc(F)c(F)c3)N2C1=O.
What is the InChIKey of (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
The InChIKey is JQSOZMVVDIKCED-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11F2NO3/c15-10-5-4-8(6-11(10)16)12-3-1-2-9-7-20-14(19)13(18)17(9)12/h2,4-6,12H,1,3,7H2/t12-/m0/s1.
What are the key properties of (6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione?
(6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione has a molecular weight of 279.24 g/mol, XLogP of 2.07, 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-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione is sourced from PubChem (CID 69009504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).