(4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride

C15H14ClF2NO2 — CID 171186926

IUPAC(4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride
SMILESCc1ccc([C@@H]2NC(=O)OCC2(F)F)c2ccccc12.Cl
InChIInChI=1S/C15H13F2NO2.ClH/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);1H/t13-;/m0./s1
InChIKeyISLYRTPMVDNJBJ-ZOWNYOTGSA-N
MW313.73 g/mol
LogP3.99
Rot. Bonds1

About (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride

(4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171186926) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171186926
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name(4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride
SMILESCc1ccc([C@@H]2NC(=O)OCC2(F)F)c2ccccc12.Cl
InChIInChI=1S/C15H13F2NO2.ClH/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);1H/t13-;/m0./s1
InChIKeyISLYRTPMVDNJBJ-ZOWNYOTGSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride (CID 171186926) is (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride is Cc1ccc([C@@H]2NC(=O)OCC2(F)F)c2ccccc12.Cl.
What is the InChIKey of (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is ISLYRTPMVDNJBJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H13F2NO2.ClH/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);1H/t13-;/m0./s1.
What are the key properties of (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride?
(4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 313.73 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171186926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).