11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]

C12H12FN3 — CID 164599933

IUPAC11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]
SMILESFc1cc2ncc3c(n2n1)C1(CCC1)CC3
InChIInChI=1S/C12H12FN3/c13-9-6-10-14-7-8-2-5-12(3-1-4-12)11(8)16(10)15-9/h6-7H,1-5H2
InChIKeyHCPMMMINKLUSDY-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.24
Rot. Bonds

About 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]

11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane] (PubChem CID 164599933) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane].

Molecular Properties

Compound Name11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]
PubChem CID164599933
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]
SMILESFc1cc2ncc3c(n2n1)C1(CCC1)CC3
InChIInChI=1S/C12H12FN3/c13-9-6-10-14-7-8-2-5-12(3-1-4-12)11(8)16(10)15-9/h6-7H,1-5H2
InChIKeyHCPMMMINKLUSDY-UHFFFAOYSA-N
XLogP2.24
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]?
The IUPAC name of 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane] (CID 164599933) is 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane].
What is the SMILES notation for 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]?
The canonical SMILES for 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane] is Fc1cc2ncc3c(n2n1)C1(CCC1)CC3.
What is the InChIKey of 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]?
The InChIKey is HCPMMMINKLUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-9-6-10-14-7-8-2-5-12(3-1-4-12)11(8)16(10)15-9/h6-7H,1-5H2.
What are the key properties of 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]?
11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane] has a molecular weight of 217.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane] is sourced from PubChem (CID 164599933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).