(4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one

C14H14F3NO2 — CID 122227245

IUPAC(4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2[C@@H]1CC[C@@H]2C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)12-7-6-10-13(19)20-8-11(18(10)12)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+,12-/m1/s1
InChIKeyKXTXAXHSIZGYBC-GRYCIOLGSA-N
MW285.26 g/mol
LogP2.68
Rot. Bonds1

About (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one

(4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one (PubChem CID 122227245) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name(4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
PubChem CID122227245
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2[C@@H]1CC[C@@H]2C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)12-7-6-10-13(19)20-8-11(18(10)12)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+,12-/m1/s1
InChIKeyKXTXAXHSIZGYBC-GRYCIOLGSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one?
The IUPAC name of (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one (CID 122227245) is (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one.
What is the SMILES notation for (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one?
The canonical SMILES for (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one is O=C1OC[C@@H](c2ccccc2)N2[C@@H]1CC[C@@H]2C(F)(F)F.
What is the InChIKey of (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one?
The InChIKey is KXTXAXHSIZGYBC-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)12-7-6-10-13(19)20-8-11(18(10)12)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+,12-/m1/s1.
What are the key properties of (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one?
(4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one has a molecular weight of 285.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8aR)-4-phenyl-6-(trifluoromethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 122227245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).