6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid

C7H10FNO4 — CID 67440345

IUPAC6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
SMILESO=C(O)N1CC(F)C2OCC(O)C21
InChIInChI=1S/C7H10FNO4/c8-3-1-9(7(11)12)5-4(10)2-13-6(3)5/h3-6,10H,1-2H2,(H,11,12)
InChIKeyPGKAZAFEVMKETP-UHFFFAOYSA-N
MW191.16 g/mol
LogP-0.55
Rot. Bonds

About 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid

6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid (PubChem CID 67440345) has the molecular formula C7H10FNO4 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
PubChem CID67440345
Molecular FormulaC7H10FNO4
Molecular Weight191.16 g/mol
Exact Mass191.06
IUPAC Name6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
SMILESO=C(O)N1CC(F)C2OCC(O)C21
InChIInChI=1S/C7H10FNO4/c8-3-1-9(7(11)12)5-4(10)2-13-6(3)5/h3-6,10H,1-2H2,(H,11,12)
InChIKeyPGKAZAFEVMKETP-UHFFFAOYSA-N
XLogP-0.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The IUPAC name of 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid (CID 67440345) is 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid is O=C(O)N1CC(F)C2OCC(O)C21.
What is the InChIKey of 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The InChIKey is PGKAZAFEVMKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO4/c8-3-1-9(7(11)12)5-4(10)2-13-6(3)5/h3-6,10H,1-2H2,(H,11,12).
What are the key properties of 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid has a molecular weight of 191.16 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid is sourced from PubChem (CID 67440345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).