(4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine

C17H14FNO2 — CID 154714279

IUPAC(4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine
SMILESF[C@@]12CN=C(c3ccccc3)O[C@@H]1c1ccccc1OC2
InChIInChI=1S/C17H14FNO2/c18-17-10-19-16(12-6-2-1-3-7-12)21-15(17)13-8-4-5-9-14(13)20-11-17/h1-9,15H,10-11H2/t15-,17-/m1/s1
InChIKeyCTEITTMYUCBTIV-NVXWUHKLSA-N
MW283.30 g/mol
LogP3.31
Rot. Bonds1

About (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine

(4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine (PubChem CID 154714279) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine.

Molecular Properties

Compound Name(4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine
PubChem CID154714279
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine
SMILESF[C@@]12CN=C(c3ccccc3)O[C@@H]1c1ccccc1OC2
InChIInChI=1S/C17H14FNO2/c18-17-10-19-16(12-6-2-1-3-7-12)21-15(17)13-8-4-5-9-14(13)20-11-17/h1-9,15H,10-11H2/t15-,17-/m1/s1
InChIKeyCTEITTMYUCBTIV-NVXWUHKLSA-N
XLogP3.31
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine with MolForge

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Related Compounds

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CID 44587384
((3S,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 44587445
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ethyl N-(9H-xanthen-9-yl)ethanimidate
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(4aR,10bR)-8-bromo-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine
CID 134959922
(4aS,10bR)-4a-fluoro-5,5,9-trimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
CID 154714287
(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
(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 154714726

Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine?
The IUPAC name of (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine (CID 154714279) is (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine.
What is the SMILES notation for (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine?
The canonical SMILES for (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine is F[C@@]12CN=C(c3ccccc3)O[C@@H]1c1ccccc1OC2.
What is the InChIKey of (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine?
The InChIKey is CTEITTMYUCBTIV-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-17-10-19-16(12-6-2-1-3-7-12)21-15(17)13-8-4-5-9-14(13)20-11-17/h1-9,15H,10-11H2/t15-,17-/m1/s1.
What are the key properties of (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine?
(4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine has a molecular weight of 283.30 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-4a-fluoro-2-phenyl-5,10b-dihydro-4H-chromeno[3,4-e][1,3]oxazine is sourced from PubChem (CID 154714279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).