7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen

C8H15F2N — CID 169250379

IUPAC7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen
SMILESFC1(F)CCCC2CNCC21.[H][H]
InChIInChI=1S/C8H13F2N.H2/c9-8(10)3-1-2-6-4-11-5-7(6)8;/h6-7,11H,1-5H2;1H
InChIKeyUTZPXMXTWZYEPS-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.89
Rot. Bonds

About 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen

7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen (PubChem CID 169250379) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen.

Molecular Properties

Compound Name7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen
PubChem CID169250379
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen
SMILESFC1(F)CCCC2CNCC21.[H][H]
InChIInChI=1S/C8H13F2N.H2/c9-8(10)3-1-2-6-4-11-5-7(6)8;/h6-7,11H,1-5H2;1H
InChIKeyUTZPXMXTWZYEPS-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen?
The IUPAC name of 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen (CID 169250379) is 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen.
What is the SMILES notation for 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen?
The canonical SMILES for 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen is FC1(F)CCCC2CNCC21.[H][H].
What is the InChIKey of 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen?
The InChIKey is UTZPXMXTWZYEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.H2/c9-8(10)3-1-2-6-4-11-5-7(6)8;/h6-7,11H,1-5H2;1H.
What are the key properties of 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen?
7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen has a molecular weight of 163.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;molecular hydrogen is sourced from PubChem (CID 169250379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).