(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride

C11H10ClF4NO2 — CID 171184954

IUPAC(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(F)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C11H9F4NO2.ClH/c12-8-2-1-6(5-7(8)11(13,14)15)9-3-4-18-10(17)16-9;/h1-2,5,9H,3-4H2,(H,16,17);1H/t9-;/m1./s1
InChIKeyYWTUHKKPJCNWFG-SBSPUUFOSA-N
MW299.65 g/mol
LogP3.44
Rot. Bonds1

About (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride

(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184954) has the molecular formula C11H10ClF4NO2 and a molecular weight of 299.65 g/mol. Its IUPAC name is (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184954
Molecular FormulaC11H10ClF4NO2
Molecular Weight299.65 g/mol
Exact Mass299.03
IUPAC Name(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(F)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C11H9F4NO2.ClH/c12-8-2-1-6(5-7(8)11(13,14)15)9-3-4-18-10(17)16-9;/h1-2,5,9H,3-4H2,(H,16,17);1H/t9-;/m1./s1
InChIKeyYWTUHKKPJCNWFG-SBSPUUFOSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.65
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride (CID 171184954) is (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccc(F)c(C(F)(F)F)c2)CCO1.
What is the InChIKey of (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is YWTUHKKPJCNWFG-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H9F4NO2.ClH/c12-8-2-1-6(5-7(8)11(13,14)15)9-3-4-18-10(17)16-9;/h1-2,5,9H,3-4H2,(H,16,17);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 299.65 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).