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

C19H18FNO2 — CID 154715171

IUPAC(4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
SMILESCC1(C)Oc2ccccc2[C@H]2OC(c3ccccc3)=NC[C@]21F
InChIInChI=1S/C19H18FNO2/c1-18(2)19(20)12-21-17(13-8-4-3-5-9-13)22-16(19)14-10-6-7-11-15(14)23-18/h3-11,16H,12H2,1-2H3/t16-,19+/m1/s1
InChIKeyJTUOLFIYXWEROB-APWZRJJASA-N
MW311.36 g/mol
LogP4.08
Rot. Bonds1

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

(4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine (PubChem CID 154715171) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine.

Molecular Properties

Compound Name(4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
PubChem CID154715171
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
SMILESCC1(C)Oc2ccccc2[C@H]2OC(c3ccccc3)=NC[C@]21F
InChIInChI=1S/C19H18FNO2/c1-18(2)19(20)12-21-17(13-8-4-3-5-9-13)22-16(19)14-10-6-7-11-15(14)23-18/h3-11,16H,12H2,1-2H3/t16-,19+/m1/s1
InChIKeyJTUOLFIYXWEROB-APWZRJJASA-N
XLogP4.08
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
The IUPAC name of (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine (CID 154715171) is (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine.
What is the SMILES notation for (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
The canonical SMILES for (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine is CC1(C)Oc2ccccc2[C@H]2OC(c3ccccc3)=NC[C@]21F.
What is the InChIKey of (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
The InChIKey is JTUOLFIYXWEROB-APWZRJJASA-N. The full InChI is InChI=1S/C19H18FNO2/c1-18(2)19(20)12-21-17(13-8-4-3-5-9-13)22-16(19)14-10-6-7-11-15(14)23-18/h3-11,16H,12H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine?
(4aS,10bR)-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine has a molecular weight of 311.36 g/mol, XLogP of 4.08, 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-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine is sourced from PubChem (CID 154715171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).