6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]

C13H13FN2 — CID 142340543

IUPAC6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]
SMILESFC1=C2C(=CCC1)c1cncn1C21CCC1
InChIInChI=1S/C13H13FN2/c14-10-4-1-3-9-11-7-15-8-16(11)13(12(9)10)5-2-6-13/h3,7-8H,1-2,4-6H2
InChIKeyYBXSHPLSCIKINI-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.18
Rot. Bonds

About 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]

6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane] (PubChem CID 142340543) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane].

Molecular Properties

Compound Name6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]
PubChem CID142340543
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]
SMILESFC1=C2C(=CCC1)c1cncn1C21CCC1
InChIInChI=1S/C13H13FN2/c14-10-4-1-3-9-11-7-15-8-16(11)13(12(9)10)5-2-6-13/h3,7-8H,1-2,4-6H2
InChIKeyYBXSHPLSCIKINI-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]?
The IUPAC name of 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane] (CID 142340543) is 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane].
What is the SMILES notation for 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]?
The canonical SMILES for 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane] is FC1=C2C(=CCC1)c1cncn1C21CCC1.
What is the InChIKey of 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]?
The InChIKey is YBXSHPLSCIKINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-10-4-1-3-9-11-7-15-8-16(11)13(12(9)10)5-2-6-13/h3,7-8H,1-2,4-6H2.
What are the key properties of 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane]?
6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane] has a molecular weight of 216.26 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[7,8-dihydroimidazo[5,1-a]isoindole-5,1'-cyclobutane] is sourced from PubChem (CID 142340543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).