6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol

C7H12FNO2 — CID 59807349

IUPAC6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol
SMILESCN1CC(F)C2OCC(O)C21
InChIInChI=1S/C7H12FNO2/c1-9-2-4(8)7-6(9)5(10)3-11-7/h4-7,10H,2-3H2,1H3
InChIKeyVDJFUJIDFOGOFO-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.60
Rot. Bonds

About 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol

6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol (PubChem CID 59807349) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol.

Molecular Properties

Compound Name6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol
PubChem CID59807349
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol
SMILESCN1CC(F)C2OCC(O)C21
InChIInChI=1S/C7H12FNO2/c1-9-2-4(8)7-6(9)5(10)3-11-7/h4-7,10H,2-3H2,1H3
InChIKeyVDJFUJIDFOGOFO-UHFFFAOYSA-N
XLogP-0.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol?
The IUPAC name of 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol (CID 59807349) is 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol.
What is the SMILES notation for 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol?
The canonical SMILES for 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol is CN1CC(F)C2OCC(O)C21.
What is the InChIKey of 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol?
The InChIKey is VDJFUJIDFOGOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-9-2-4(8)7-6(9)5(10)3-11-7/h4-7,10H,2-3H2,1H3.
What are the key properties of 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol?
6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol has a molecular weight of 161.18 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-ol is sourced from PubChem (CID 59807349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).