(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine

C18H18FNO — CID 154714049

IUPAC(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine
SMILESCC[C@]1(F)CN=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C18H18FNO/c1-2-18(19)13-20-17(15-11-7-4-8-12-15)21-16(18)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16?,18-/m0/s1
InChIKeyIHBHRUDWMDPGEA-DAFXYXGESA-N
MW283.35 g/mol
LogP4.32
Rot. Bonds3

About (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine

(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine (PubChem CID 154714049) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine
PubChem CID154714049
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine
SMILESCC[C@]1(F)CN=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C18H18FNO/c1-2-18(19)13-20-17(15-11-7-4-8-12-15)21-16(18)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16?,18-/m0/s1
InChIKeyIHBHRUDWMDPGEA-DAFXYXGESA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenylpyraline
CID 3103
Diphenylpyraline Hydrochloride
CID 66063
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
4-[Bis(4-fluorophenyl)methoxy]-1-methylpiperidine
CID 11659699
4-[(4-Fluorophenyl)(phenyl)methoxy]-1-methylpiperidine
CID 19874291
1-Methyl-4-[(3-methylphenyl)(phenyl)methoxy]piperidine
CID 44404582
5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine
CID 569306
2-(4-bromophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547846
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
4-[Bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine
CID 86294716
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine?
The IUPAC name of (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine (CID 154714049) is (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine.
What is the SMILES notation for (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine?
The canonical SMILES for (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine is CC[C@]1(F)CN=C(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine?
The InChIKey is IHBHRUDWMDPGEA-DAFXYXGESA-N. The full InChI is InChI=1S/C18H18FNO/c1-2-18(19)13-20-17(15-11-7-4-8-12-15)21-16(18)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16?,18-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine?
(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine has a molecular weight of 283.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine is sourced from PubChem (CID 154714049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).