(4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine

C20H20FNO2 — CID 154714287

IUPAC(4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
SMILESCc1ccc2c(c1)[C@H]1OC(c3ccccc3)=NC[C@@]1(F)C(C)(C)O2
InChIInChI=1S/C20H20FNO2/c1-13-9-10-16-15(11-13)17-20(21,19(2,3)24-16)12-22-18(23-17)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3/t17-,20+/m1/s1
InChIKeyVKPCZIZFTABZFE-XLIONFOSSA-N
MW325.38 g/mol
LogP4.39
Rot. Bonds1

About (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine

(4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine (PubChem CID 154714287) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine.

Molecular Properties

Compound Name(4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
PubChem CID154714287
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
SMILESCc1ccc2c(c1)[C@H]1OC(c3ccccc3)=NC[C@@]1(F)C(C)(C)O2
InChIInChI=1S/C20H20FNO2/c1-13-9-10-16-15(11-13)17-20(21,19(2,3)24-16)12-22-18(23-17)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3/t17-,20+/m1/s1
InChIKeyVKPCZIZFTABZFE-XLIONFOSSA-N
XLogP4.39
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine with MolForge

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Related Compounds

2-(3-Phenylchroman-6-yl)-4,5-dihydrooxazole
CID 5272652
(3S,4R)-3-fluoro-2'-naphthalen-2-ylspiro[2,3-dihydrochromene-4,5'-4H-1,3-oxazole]
CID 89665173
2-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-4a-(4-methoxyphenyl)-4H-benzo(e)(1,3)oxazine
CID 90831425
(4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine
CID 154714279
(4aS,10bR)-4a-fluoro-9-methoxy-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 154714280
(4aS,10bR)-9-chloro-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
CID 154714288
(4aS,10bR)-9-bromo-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
CID 154714289
(4aS,10bR)-4a-fluoro-2-(4-methoxyphenyl)-5,5-dimethyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
CID 154714291
(4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
CID 154715171
(4aR,10bR)-2-(4-bromophenyl)-4a-fluoro-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine
CID 154715594
(4aR,10bR)-4a-fluoro-2-(4-methoxyphenyl)-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine
CID 154715595
(E)-N-(4-methoxybenzylidene)-2-(4-(4-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3837927

Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
The IUPAC name of (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine (CID 154714287) is (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine.
What is the SMILES notation for (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
The canonical SMILES for (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine is Cc1ccc2c(c1)[C@H]1OC(c3ccccc3)=NC[C@@]1(F)C(C)(C)O2.
What is the InChIKey of (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
The InChIKey is VKPCZIZFTABZFE-XLIONFOSSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-13-9-10-16-15(11-13)17-20(21,19(2,3)24-16)12-22-18(23-17)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3/t17-,20+/m1/s1.
What are the key properties of (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
(4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine has a molecular weight of 325.38 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine is sourced from PubChem (CID 154714287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).