1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane

C13H19F2NO — CID 67324301

IUPAC1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane
SMILESC1=CCC2C(=C1)OC1CNCCC12.CC(F)F
InChIInChI=1S/C11H15NO.C2H4F2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2(3)4/h1-2,4,8-9,11-12H,3,5-7H2;2H,1H3
InChIKeyIAPQEAIDLRYIDJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.73
Rot. Bonds

About 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane

1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane (PubChem CID 67324301) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane.

Molecular Properties

Compound Name1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane
PubChem CID67324301
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane
SMILESC1=CCC2C(=C1)OC1CNCCC12.CC(F)F
InChIInChI=1S/C11H15NO.C2H4F2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2(3)4/h1-2,4,8-9,11-12H,3,5-7H2;2H,1H3
InChIKeyIAPQEAIDLRYIDJ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane?
The IUPAC name of 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane (CID 67324301) is 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane.
What is the SMILES notation for 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane?
The canonical SMILES for 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane is C1=CCC2C(=C1)OC1CNCCC12.CC(F)F.
What is the InChIKey of 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane?
The InChIKey is IAPQEAIDLRYIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H4F2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2(3)4/h1-2,4,8-9,11-12H,3,5-7H2;2H,1H3.
What are the key properties of 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane?
1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane has a molecular weight of 243.30 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane is sourced from PubChem (CID 67324301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).