(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine

C19H18FNO — CID 135065057

IUPAC(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
SMILESC[C@@]12OC(c3ccccc3)=NC[C@@]1(F)CCc1ccccc12
InChIInChI=1S/C19H18FNO/c1-18-16-10-6-5-7-14(16)11-12-19(18,20)13-21-17(22-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3/t18-,19-/m0/s1
InChIKeyHVMICACGVZEKKT-OALUTQOASA-N
MW295.36 g/mol
LogP4.03
Rot. Bonds1

About (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine

(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine (PubChem CID 135065057) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine.

Molecular Properties

Compound Name(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
PubChem CID135065057
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
SMILESC[C@@]12OC(c3ccccc3)=NC[C@@]1(F)CCc1ccccc12
InChIInChI=1S/C19H18FNO/c1-18-16-10-6-5-7-14(16)11-12-19(18,20)13-21-17(22-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3/t18-,19-/m0/s1
InChIKeyHVMICACGVZEKKT-OALUTQOASA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine 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 (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine?
The IUPAC name of (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine (CID 135065057) is (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine.
What is the SMILES notation for (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine?
The canonical SMILES for (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine is C[C@@]12OC(c3ccccc3)=NC[C@@]1(F)CCc1ccccc12.
What is the InChIKey of (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine?
The InChIKey is HVMICACGVZEKKT-OALUTQOASA-N. The full InChI is InChI=1S/C19H18FNO/c1-18-16-10-6-5-7-14(16)11-12-19(18,20)13-21-17(22-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3/t18-,19-/m0/s1.
What are the key properties of (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine?
(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine has a molecular weight of 295.36 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine is sourced from PubChem (CID 135065057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).