(3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine

C11H12FNO — CID 134862659

IUPAC(3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine
SMILESFc1ccc2c(c1)N1CCC[C@H]1OC2
InChIInChI=1S/C11H12FNO/c12-9-4-3-8-7-14-11-2-1-5-13(11)10(8)6-9/h3-4,6,11H,1-2,5,7H2/t11-/m1/s1
InChIKeyKPARWAXNLQVCIW-LLVKDONJSA-N
MW193.22 g/mol
LogP2.28
Rot. Bonds

About (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine

(3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine (PubChem CID 134862659) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine.

Molecular Properties

Compound Name(3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine
PubChem CID134862659
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine
SMILESFc1ccc2c(c1)N1CCC[C@H]1OC2
InChIInChI=1S/C11H12FNO/c12-9-4-3-8-7-14-11-2-1-5-13(11)10(8)6-9/h3-4,6,11H,1-2,5,7H2/t11-/m1/s1
InChIKeyKPARWAXNLQVCIW-LLVKDONJSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]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 (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine?
The IUPAC name of (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine (CID 134862659) is (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine.
What is the SMILES notation for (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine?
The canonical SMILES for (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine is Fc1ccc2c(c1)N1CCC[C@H]1OC2.
What is the InChIKey of (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine?
The InChIKey is KPARWAXNLQVCIW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12FNO/c12-9-4-3-8-7-14-11-2-1-5-13(11)10(8)6-9/h3-4,6,11H,1-2,5,7H2/t11-/m1/s1.
What are the key properties of (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine?
(3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine has a molecular weight of 193.22 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine is sourced from PubChem (CID 134862659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).