2-[(E)-2-(2-fluorophenyl)ethenyl]azocane

C15H20FN — CID 114239682

IUPAC2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
SMILESFc1ccccc1/C=C/C1CCCCCCN1
InChIInChI=1S/C15H20FN/c16-15-9-5-4-7-13(15)10-11-14-8-3-1-2-6-12-17-14/h4-5,7,9-11,14,17H,1-3,6,8,12H2/b11-10+
InChIKeySMFNJEWAEADWKT-ZHACJKMWSA-N
MW233.33 g/mol
LogP3.76
Rot. Bonds2

About 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane

2-[(E)-2-(2-fluorophenyl)ethenyl]azocane (PubChem CID 114239682) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane.

Molecular Properties

Compound Name2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
PubChem CID114239682
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
SMILESFc1ccccc1/C=C/C1CCCCCCN1
InChIInChI=1S/C15H20FN/c16-15-9-5-4-7-13(15)10-11-14-8-3-1-2-6-12-17-14/h4-5,7,9-11,14,17H,1-3,6,8,12H2/b11-10+
InChIKeySMFNJEWAEADWKT-ZHACJKMWSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine
CID 104703649
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767
3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride
CID 22248189
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]piperidine
CID 104703670
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432
(3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine
CID 68986241
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
CID 104703643

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane?
The IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane (CID 114239682) is 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane.
What is the SMILES notation for 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane?
The canonical SMILES for 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane is Fc1ccccc1/C=C/C1CCCCCCN1.
What is the InChIKey of 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane?
The InChIKey is SMFNJEWAEADWKT-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20FN/c16-15-9-5-4-7-13(15)10-11-14-8-3-1-2-6-12-17-14/h4-5,7,9-11,14,17H,1-3,6,8,12H2/b11-10+.
What are the key properties of 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane?
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane has a molecular weight of 233.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-fluorophenyl)ethenyl]azocane is sourced from PubChem (CID 114239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).