(4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine

C12H14FNO — CID 76764379

IUPAC(4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine
SMILESCC1=N[C@H](c2ccccc2)C[C@@](C)(F)O1
InChIInChI=1S/C12H14FNO/c1-9-14-11(8-12(2,13)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyOGQFTTBSEHAKCO-RYUDHWBXSA-N
MW207.25 g/mol
LogP3.25
Rot. Bonds1

About (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine

(4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine (PubChem CID 76764379) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine.

Molecular Properties

Compound Name(4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine
PubChem CID76764379
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine
SMILESCC1=N[C@H](c2ccccc2)C[C@@](C)(F)O1
InChIInChI=1S/C12H14FNO/c1-9-14-11(8-12(2,13)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyOGQFTTBSEHAKCO-RYUDHWBXSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AG-H-02521
CID 5325154
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158
2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole
CID 162407444
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
6-Methoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 101728541
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498
1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine
CID 89232312
(S)-N-(2,2,2-Trifluoroethylidene)-1-phenyl-2-ethoxyethanamine
CID 102104027
(4S)-2-(Trifluoromethyl)-4-phenyl-2-oxazoline
CID 102448796
(4S)-2-(Difluoromethyl)-4-phenyl-2-oxazoline
CID 102448797

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine?
The IUPAC name of (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine (CID 76764379) is (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine.
What is the SMILES notation for (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine?
The canonical SMILES for (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine is CC1=N[C@H](c2ccccc2)C[C@@](C)(F)O1.
What is the InChIKey of (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine?
The InChIKey is OGQFTTBSEHAKCO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H14FNO/c1-9-14-11(8-12(2,13)15-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine?
(4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine has a molecular weight of 207.25 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-fluoro-2,6-dimethyl-4-phenyl-4,5-dihydro-1,3-oxazine is sourced from PubChem (CID 76764379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).