(3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol

C6H11FNO2+ — CID 59807293

IUPAC(3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol
SMILESO[C@H]1CO[C@H]2[C@@H]1[NH2+]C[C@@H]2F
InChIInChI=1S/C6H10FNO2/c7-3-1-8-5-4(9)2-10-6(3)5/h3-6,8-9H,1-2H2/p+1/t3-,4-,5+,6+/m0/s1
InChIKeyQSZUDTGOAHNZOO-UNTFVMJOSA-O
MW148.16 g/mol
LogP-1.97
Rot. Bonds

About (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol

(3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol (PubChem CID 59807293) has the molecular formula C6H11FNO2+ and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol.

Molecular Properties

Compound Name(3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol
PubChem CID59807293
Molecular FormulaC6H11FNO2+
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol
SMILESO[C@H]1CO[C@H]2[C@@H]1[NH2+]C[C@@H]2F
InChIInChI=1S/C6H10FNO2/c7-3-1-8-5-4(9)2-10-6(3)5/h3-6,8-9H,1-2H2/p+1/t3-,4-,5+,6+/m0/s1
InChIKeyQSZUDTGOAHNZOO-UNTFVMJOSA-O
XLogP-1.97
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol?
The IUPAC name of (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol (CID 59807293) is (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol.
What is the SMILES notation for (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol?
The canonical SMILES for (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol is O[C@H]1CO[C@H]2[C@@H]1[NH2+]C[C@@H]2F.
What is the InChIKey of (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol?
The InChIKey is QSZUDTGOAHNZOO-UNTFVMJOSA-O. The full InChI is InChI=1S/C6H10FNO2/c7-3-1-8-5-4(9)2-10-6(3)5/h3-6,8-9H,1-2H2/p+1/t3-,4-,5+,6+/m0/s1.
What are the key properties of (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol?
(3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol has a molecular weight of 148.16 g/mol, XLogP of -1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol is sourced from PubChem (CID 59807293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).