6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole

C9H16FNO3 — CID 143391230

IUPAC6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole
SMILESCOC1(OC)COC2C(F)CN(C)C21
InChIInChI=1S/C9H16FNO3/c1-11-4-6(10)7-8(11)9(12-2,13-3)5-14-7/h6-8H,4-5H2,1-3H3
InChIKeyYEMNHOWDKBMRSI-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.03
Rot. Bonds2

About 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole

6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole (PubChem CID 143391230) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole.

Molecular Properties

Compound Name6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole
PubChem CID143391230
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole
SMILESCOC1(OC)COC2C(F)CN(C)C21
InChIInChI=1S/C9H16FNO3/c1-11-4-6(10)7-8(11)9(12-2,13-3)5-14-7/h6-8H,4-5H2,1-3H3
InChIKeyYEMNHOWDKBMRSI-UHFFFAOYSA-N
XLogP0.03
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole?
The IUPAC name of 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole (CID 143391230) is 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole.
What is the SMILES notation for 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole?
The canonical SMILES for 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole is COC1(OC)COC2C(F)CN(C)C21.
What is the InChIKey of 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole?
The InChIKey is YEMNHOWDKBMRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-11-4-6(10)7-8(11)9(12-2,13-3)5-14-7/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole?
6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole has a molecular weight of 205.23 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3-dimethoxy-4-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole is sourced from PubChem (CID 143391230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).