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

C6H10FNO2 — CID 55300575

IUPAC(3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESOC1CO[C@H]2[C@@H]1NC[C@@H]2F
InChIInChI=1S/C6H10FNO2/c7-3-1-8-5-4(9)2-10-6(3)5/h3-6,8-9H,1-2H2/t3-,4?,5+,6+/m0/s1
InChIKeyQSZUDTGOAHNZOO-UQIFEBIISA-N
MW147.15 g/mol
LogP-0.94
Rot. Bonds

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

(3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol (PubChem CID 55300575) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol.

Molecular Properties

Compound Name(3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
PubChem CID55300575
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESOC1CO[C@H]2[C@@H]1NC[C@@H]2F
InChIInChI=1S/C6H10FNO2/c7-3-1-8-5-4(9)2-10-6(3)5/h3-6,8-9H,1-2H2/t3-,4?,5+,6+/m0/s1
InChIKeyQSZUDTGOAHNZOO-UQIFEBIISA-N
XLogP-0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The IUPAC name of (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol (CID 55300575) is (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol.
What is the SMILES notation for (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The canonical SMILES for (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol is OC1CO[C@H]2[C@@H]1NC[C@@H]2F.
What is the InChIKey of (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The InChIKey is QSZUDTGOAHNZOO-UQIFEBIISA-N. 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/t3-,4?,5+,6+/m0/s1.
What are the key properties of (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
(3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol has a molecular weight of 147.15 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol is sourced from PubChem (CID 55300575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).