[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate

C13H15FN2O4 — CID 51136234

IUPAC[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate
SMILESN[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O4/c14-7-2-1-3-8(4-7)16-13(17)20-10-6-19-11-9(15)5-18-12(10)11/h1-4,9-12H,5-6,15H2,(H,16,17)/t9-,10+,11+,12+/m0/s1
InChIKeyLUQVOMHSYFZMFI-IRCOFANPSA-N
MW282.27 g/mol
LogP0.87
Rot. Bonds2

About [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate

[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate (PubChem CID 51136234) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate
PubChem CID51136234
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate
SMILESN[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O4/c14-7-2-1-3-8(4-7)16-13(17)20-10-6-19-11-9(15)5-18-12(10)11/h1-4,9-12H,5-6,15H2,(H,16,17)/t9-,10+,11+,12+/m0/s1
InChIKeyLUQVOMHSYFZMFI-IRCOFANPSA-N
XLogP0.87
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate?
The IUPAC name of [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate (CID 51136234) is [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate.
What is the SMILES notation for [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate?
The canonical SMILES for [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate is N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1cccc(F)c1.
What is the InChIKey of [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate?
The InChIKey is LUQVOMHSYFZMFI-IRCOFANPSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-7-2-1-3-8(4-7)16-13(17)20-10-6-19-11-9(15)5-18-12(10)11/h1-4,9-12H,5-6,15H2,(H,16,17)/t9-,10+,11+,12+/m0/s1.
What are the key properties of [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate?
[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate has a molecular weight of 282.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 51136234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).