5-(4-fluorophenyl)-1,4-diazocane

C12H17FN2 — CID 58295234

IUPAC5-(4-fluorophenyl)-1,4-diazocane
SMILESFc1ccc(C2CCCNCCN2)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)12-2-1-7-14-8-9-15-12/h3-6,12,14-15H,1-2,7-9H2
InChIKeyQNOFQFLLWZKFQV-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.84
Rot. Bonds1

About 5-(4-fluorophenyl)-1,4-diazocane

5-(4-fluorophenyl)-1,4-diazocane (PubChem CID 58295234) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,4-diazocane.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,4-diazocane
PubChem CID58295234
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name5-(4-fluorophenyl)-1,4-diazocane
SMILESFc1ccc(C2CCCNCCN2)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)12-2-1-7-14-8-9-15-12/h3-6,12,14-15H,1-2,7-9H2
InChIKeyQNOFQFLLWZKFQV-UHFFFAOYSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-1,4-diazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(5R)-5-phenyl-1,4-diazepane
CID 124583394
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
CID 116988431
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2S)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 66519154
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
CID 117366264
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
(2R,4S)-2-(4-fluorophenyl)piperidin-4-ol
CID 67506323
2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 169449503

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,4-diazocane?
The IUPAC name of 5-(4-fluorophenyl)-1,4-diazocane (CID 58295234) is 5-(4-fluorophenyl)-1,4-diazocane.
What is the SMILES notation for 5-(4-fluorophenyl)-1,4-diazocane?
The canonical SMILES for 5-(4-fluorophenyl)-1,4-diazocane is Fc1ccc(C2CCCNCCN2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1,4-diazocane?
The InChIKey is QNOFQFLLWZKFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)12-2-1-7-14-8-9-15-12/h3-6,12,14-15H,1-2,7-9H2.
What are the key properties of 5-(4-fluorophenyl)-1,4-diazocane?
5-(4-fluorophenyl)-1,4-diazocane has a molecular weight of 208.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,4-diazocane is sourced from PubChem (CID 58295234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).