(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride

C10H9ClF3NO2 — CID 171185200

IUPAC(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(F)c(F)cc2F)CCO1
InChIInChI=1S/C10H8F3NO2.ClH/c11-6-4-8(13)7(12)3-5(6)9-1-2-16-10(15)14-9;/h3-4,9H,1-2H2,(H,14,15);1H/t9-;/m1./s1
InChIKeyISMRBJSBWYMHOK-SBSPUUFOSA-N
MW267.63 g/mol
LogP2.70
Rot. Bonds1

About (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185200) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185200
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(F)c(F)cc2F)CCO1
InChIInChI=1S/C10H8F3NO2.ClH/c11-6-4-8(13)7(12)3-5(6)9-1-2-16-10(15)14-9;/h3-4,9H,1-2H2,(H,14,15);1H/t9-;/m1./s1
InChIKeyISMRBJSBWYMHOK-SBSPUUFOSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4S)-4-(2,3,4-trifluorophenyl)-1,3-oxazinan-2-one
CID 171185725
(4S)-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185872
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
CID 171185912
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4S)-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 171252769
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-(5-fluoro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131252377

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185200) is (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2cc(F)c(F)cc2F)CCO1.
What is the InChIKey of (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is ISMRBJSBWYMHOK-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H8F3NO2.ClH/c11-6-4-8(13)7(12)3-5(6)9-1-2-16-10(15)14-9;/h3-4,9H,1-2H2,(H,14,15);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 267.63 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).