3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine

C15H15FN2 — CID 15950757

IUPAC3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine
SMILESFc1ccccc1-c1cc2c(nn1)CCCCC2
InChIInChI=1S/C15H15FN2/c16-13-8-5-4-7-12(13)15-10-11-6-2-1-3-9-14(11)17-18-15/h4-5,7-8,10H,1-3,6,9H2
InChIKeyUDANGMIVOAMLMF-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.55
Rot. Bonds1

About 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine

3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine (PubChem CID 15950757) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine
PubChem CID15950757
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine
SMILESFc1ccccc1-c1cc2c(nn1)CCCCC2
InChIInChI=1S/C15H15FN2/c16-13-8-5-4-7-12(13)15-10-11-6-2-1-3-9-14(11)17-18-15/h4-5,7-8,10H,1-3,6,9H2
InChIKeyUDANGMIVOAMLMF-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-6-phenylpyridazine
CID 88515
3-Phenylpyridazine
CID 193499
3-Methyl-5-phenylpyridazine
CID 2736934
3-Benzyl-6-chloropyridazine
CID 6404535
3-Chloro-6-(4-methylphenyl)pyridazine
CID 2775558
3-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155513179
3-Chloro-6-[(3-methylphenyl)methyl]pyridazine
CID 6404581
3-Pyridazineethanethioamide, 6-methyl-alpha-phenyl-
CID 6410538
3-Pyridazinamine, 4-methyl-6-phenyl-, monohydrochloride
CID 6410668
3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12449552
5-Methyl-6-phenylpyridazin-3-amine
CID 13735348
3-Chloro-6-(4-fluorophenyl)pyridazine
CID 6422444

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine?
The IUPAC name of 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine (CID 15950757) is 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine.
What is the SMILES notation for 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine?
The canonical SMILES for 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine is Fc1ccccc1-c1cc2c(nn1)CCCCC2.
What is the InChIKey of 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine?
The InChIKey is UDANGMIVOAMLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-13-8-5-4-7-12(13)15-10-11-6-2-1-3-9-14(11)17-18-15/h4-5,7-8,10H,1-3,6,9H2.
What are the key properties of 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine?
3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine has a molecular weight of 242.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine is sourced from PubChem (CID 15950757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).