(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine

C17H14FNO — CID 154715589

IUPAC(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine
SMILESF[C@@]12CN=C(c3ccccc3)O[C@@H]1c1ccccc1C2
InChIInChI=1S/C17H14FNO/c18-17-10-13-8-4-5-9-14(13)15(17)20-16(19-11-17)12-6-2-1-3-7-12/h1-9,15H,10-11H2/t15-,17+/m1/s1
InChIKeyGCNHMTXHJRHSGP-WBVHZDCISA-N
MW267.30 g/mol
LogP3.47
Rot. Bonds1

About (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine

(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine (PubChem CID 154715589) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine.

Molecular Properties

Compound Name(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine
PubChem CID154715589
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine
SMILESF[C@@]12CN=C(c3ccccc3)O[C@@H]1c1ccccc1C2
InChIInChI=1S/C17H14FNO/c18-17-10-13-8-4-5-9-14(13)15(17)20-16(19-11-17)12-6-2-1-3-7-12/h1-9,15H,10-11H2/t15-,17+/m1/s1
InChIKeyGCNHMTXHJRHSGP-WBVHZDCISA-N
XLogP3.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine with MolForge

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Related Compounds

2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
CID 134954192
(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]
CID 134954193
(5S)-5-fluoro-2-phenyl-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
CID 134959921
(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714049
(5S)-5-fluoro-5-methyl-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714281
(5S)-5-fluoro-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 154714452
(6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 162413466
6-Benzyl-6-fluoro-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851487
5-(Fluoromethyl)-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 178252037
(5S,6S)-6-fluoro-2,5-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 178252044
Fluorenyl-oxazoline
CID 152096075

Frequently Asked Questions

What is the IUPAC name of (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine?
The IUPAC name of (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine (CID 154715589) is (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine.
What is the SMILES notation for (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine?
The canonical SMILES for (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine is F[C@@]12CN=C(c3ccccc3)O[C@@H]1c1ccccc1C2.
What is the InChIKey of (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine?
The InChIKey is GCNHMTXHJRHSGP-WBVHZDCISA-N. The full InChI is InChI=1S/C17H14FNO/c18-17-10-13-8-4-5-9-14(13)15(17)20-16(19-11-17)12-6-2-1-3-7-12/h1-9,15H,10-11H2/t15-,17+/m1/s1.
What are the key properties of (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine?
(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine has a molecular weight of 267.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine is sourced from PubChem (CID 154715589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).