(4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one

C15H13F2NO2 — CID 171188387

IUPAC(4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@H]2NC(=O)OCC2(F)F)c2ccccc12
InChIInChI=1S/C15H13F2NO2/c1-9-6-7-12(11-5-3-2-4-10(9)11)13-15(16,17)8-20-14(19)18-13/h2-7,13H,8H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyHQYKFXOXBJGPRJ-CYBMUJFWSA-N
MW277.27 g/mol
LogP3.56
Rot. Bonds1

About (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one

(4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one (PubChem CID 171188387) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one
PubChem CID171188387
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name(4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@H]2NC(=O)OCC2(F)F)c2ccccc12
InChIInChI=1S/C15H13F2NO2/c1-9-6-7-12(11-5-3-2-4-10(9)11)13-15(16,17)8-20-14(19)18-13/h2-7,13H,8H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyHQYKFXOXBJGPRJ-CYBMUJFWSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one (CID 171188387) is (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one is Cc1ccc([C@H]2NC(=O)OCC2(F)F)c2ccccc12.
What is the InChIKey of (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one?
The InChIKey is HQYKFXOXBJGPRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-9-6-7-12(11-5-3-2-4-10(9)11)13-15(16,17)8-20-14(19)18-13/h2-7,13H,8H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one?
(4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one has a molecular weight of 277.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171188387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).