6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol

C7H11F2NO2 — CID 59807300

IUPAC6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESCN1CC(F)(F)C2OCC(O)C21
InChIInChI=1S/C7H11F2NO2/c1-10-3-7(8,9)6-5(10)4(11)2-12-6/h4-6,11H,2-3H2,1H3
InChIKeyXHJWTJKECNBYEP-UHFFFAOYSA-N
MW179.17 g/mol
LogP-0.30
Rot. Bonds

About 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol

6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol (PubChem CID 59807300) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol.

Molecular Properties

Compound Name6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol
PubChem CID59807300
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESCN1CC(F)(F)C2OCC(O)C21
InChIInChI=1S/C7H11F2NO2/c1-10-3-7(8,9)6-5(10)4(11)2-12-6/h4-6,11H,2-3H2,1H3
InChIKeyXHJWTJKECNBYEP-UHFFFAOYSA-N
XLogP-0.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol?
The IUPAC name of 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol (CID 59807300) is 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol.
What is the SMILES notation for 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol?
The canonical SMILES for 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol is CN1CC(F)(F)C2OCC(O)C21.
What is the InChIKey of 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol?
The InChIKey is XHJWTJKECNBYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-10-3-7(8,9)6-5(10)4(11)2-12-6/h4-6,11H,2-3H2,1H3.
What are the key properties of 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol?
6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol has a molecular weight of 179.17 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]pyrrol-3-ol is sourced from PubChem (CID 59807300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).