2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine

C22H17F2NO — CID 54056058

IUPAC2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(c2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C22H17F2NO/c23-17-12-7-13-18(24)21(17)22-25-19(15-8-3-1-4-9-15)14-20(26-22)16-10-5-2-6-11-16/h1-13,19-20H,14H2
InChIKeyLWIJAXDNCTXDNS-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.61
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine

2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54056058) has the molecular formula C22H17F2NO and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID54056058
Molecular FormulaC22H17F2NO
Molecular Weight349.38 g/mol
Exact Mass349.13
IUPAC Name2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(c2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C22H17F2NO/c23-17-12-7-13-18(24)21(17)22-25-19(15-8-3-1-4-9-15)14-20(26-22)16-10-5-2-6-11-16/h1-13,19-20H,14H2
InChIKeyLWIJAXDNCTXDNS-UHFFFAOYSA-N
XLogP5.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-1,2,3,6-tetrahydro-pyridine
CID 11729096
1-Benzyl-4-[bis-(4-fluoro-phenyl)-methoxymethyl]-piperidine
CID 10573451
8-Benzyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]octane
CID 24810004
3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-fluoro-benzyl)-8-aza-bicyclo[3.2.1]octane
CID 44267764
8-Benzyl-3-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethylidene}-8-aza-bicyclo[3.2.1]octane
CID 44371953
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine (CID 54056058) is 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(F)c1C1=NC(c2ccccc2)CC(c2ccccc2)O1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is LWIJAXDNCTXDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO/c23-17-12-7-13-18(24)21(17)22-25-19(15-8-3-1-4-9-15)14-20(26-22)16-10-5-2-6-11-16/h1-13,19-20H,14H2.
What are the key properties of 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine?
2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 349.38 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54056058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).