(4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine

C12H13FN2O2 — CID 58304309

IUPAC(4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
SMILESNC1=N[C@@]2(c3ccccc3F)COC[C@H]2CO1
InChIInChI=1S/C12H13FN2O2/c13-10-4-2-1-3-9(10)12-7-16-5-8(12)6-17-11(14)15-12/h1-4,8H,5-7H2,(H2,14,15)/t8-,12-/m0/s1
InChIKeyZEAMKUXWEFVXDO-UFBFGSQYSA-N
MW236.25 g/mol
LogP1.01
Rot. Bonds1

About (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine

(4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine (PubChem CID 58304309) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine.

Molecular Properties

Compound Name(4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
PubChem CID58304309
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name(4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
SMILESNC1=N[C@@]2(c3ccccc3F)COC[C@H]2CO1
InChIInChI=1S/C12H13FN2O2/c13-10-4-2-1-3-9(10)12-7-16-5-8(12)6-17-11(14)15-12/h1-4,8H,5-7H2,(H2,14,15)/t8-,12-/m0/s1
InChIKeyZEAMKUXWEFVXDO-UFBFGSQYSA-N
XLogP1.01
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
The IUPAC name of (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine (CID 58304309) is (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine.
What is the SMILES notation for (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
The canonical SMILES for (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine is NC1=N[C@@]2(c3ccccc3F)COC[C@H]2CO1.
What is the InChIKey of (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
The InChIKey is ZEAMKUXWEFVXDO-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-10-4-2-1-3-9(10)12-7-16-5-8(12)6-17-11(14)15-12/h1-4,8H,5-7H2,(H2,14,15)/t8-,12-/m0/s1.
What are the key properties of (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine?
(4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine has a molecular weight of 236.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine is sourced from PubChem (CID 58304309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).