(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one

C11H12FNO2 — CID 171185070

IUPAC(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@H]2CCOC(=O)N2)cc1F
InChIInChI=1S/C11H12FNO2/c1-7-2-3-8(6-9(7)12)10-4-5-15-11(14)13-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyLPLMTEJFMPPGRE-SNVBAGLBSA-N
MW209.22 g/mol
LogP2.31
Rot. Bonds1

About (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one

(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 171185070) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
PubChem CID171185070
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@H]2CCOC(=O)N2)cc1F
InChIInChI=1S/C11H12FNO2/c1-7-2-3-8(6-9(7)12)10-4-5-15-11(14)13-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyLPLMTEJFMPPGRE-SNVBAGLBSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one (CID 171185070) is (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one is Cc1ccc([C@H]2CCOC(=O)N2)cc1F.
What is the InChIKey of (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is LPLMTEJFMPPGRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7-2-3-8(6-9(7)12)10-4-5-15-11(14)13-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one?
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 209.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171185070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).