(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one

C12H14FNO2 — CID 143505729

IUPAC(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCc1ccc([C@@H]2CCN(C)C(=O)O2)cc1F
InChIInChI=1S/C12H14FNO2/c1-8-3-4-9(7-10(8)13)11-5-6-14(2)12(15)16-11/h3-4,7,11H,5-6H2,1-2H3/t11-/m0/s1
InChIKeyVFRKNDNPUHVDCR-NSHDSACASA-N
MW223.25 g/mol
LogP2.65
Rot. Bonds1

About (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one

(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one (PubChem CID 143505729) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one
PubChem CID143505729
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCc1ccc([C@@H]2CCN(C)C(=O)O2)cc1F
InChIInChI=1S/C12H14FNO2/c1-8-3-4-9(7-10(8)13)11-5-6-14(2)12(15)16-11/h3-4,7,11H,5-6H2,1-2H3/t11-/m0/s1
InChIKeyVFRKNDNPUHVDCR-NSHDSACASA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one (CID 143505729) is (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one is Cc1ccc([C@@H]2CCN(C)C(=O)O2)cc1F.
What is the InChIKey of (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one?
The InChIKey is VFRKNDNPUHVDCR-NSHDSACASA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-3-4-9(7-10(8)13)11-5-6-14(2)12(15)16-11/h3-4,7,11H,5-6H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one?
(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 143505729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).