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

C10H11ClFNO2 — CID 171184835

IUPAC(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2F)CCO1
InChIInChI=1S/C10H10FNO2.ClH/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9;/h1-4,9H,5-6H2,(H,12,13);1H/t9-;/m1./s1
InChIKeyHWWCBMRNBYNVAJ-SBSPUUFOSA-N
MW231.65 g/mol
LogP2.42
Rot. Bonds1

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

(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184835) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184835
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2F)CCO1
InChIInChI=1S/C10H10FNO2.ClH/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9;/h1-4,9H,5-6H2,(H,12,13);1H/t9-;/m1./s1
InChIKeyHWWCBMRNBYNVAJ-SBSPUUFOSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4R)-4-(2,4,5-trifluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185200
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(4S)-4-(2,3,4-trifluorophenyl)-1,3-oxazinan-2-one
CID 171185725
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184830
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4S)-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185872
(4R)-4-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171184835) is (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccccc2F)CCO1.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is HWWCBMRNBYNVAJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10FNO2.ClH/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9;/h1-4,9H,5-6H2,(H,12,13);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 231.65 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).