4-fluoro-4-(3-phenylpropyl)azepane

C15H22FN — CID 103984045

IUPAC4-fluoro-4-(3-phenylpropyl)azepane
SMILESFC1(CCCc2ccccc2)CCCNCC1
InChIInChI=1S/C15H22FN/c16-15(10-5-12-17-13-11-15)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,17H,4-5,8-13H2
InChIKeyAPOWPHUZEGIWDI-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.49
Rot. Bonds4

About 4-fluoro-4-(3-phenylpropyl)azepane

4-fluoro-4-(3-phenylpropyl)azepane (PubChem CID 103984045) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-fluoro-4-(3-phenylpropyl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(3-phenylpropyl)azepane
PubChem CID103984045
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-fluoro-4-(3-phenylpropyl)azepane
SMILESFC1(CCCc2ccccc2)CCCNCC1
InChIInChI=1S/C15H22FN/c16-15(10-5-12-17-13-11-15)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,17H,4-5,8-13H2
InChIKeyAPOWPHUZEGIWDI-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-4-(3-phenylpropyl)azepane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-phenylpropyl)azepane?
The IUPAC name of 4-fluoro-4-(3-phenylpropyl)azepane (CID 103984045) is 4-fluoro-4-(3-phenylpropyl)azepane.
What is the SMILES notation for 4-fluoro-4-(3-phenylpropyl)azepane?
The canonical SMILES for 4-fluoro-4-(3-phenylpropyl)azepane is FC1(CCCc2ccccc2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(3-phenylpropyl)azepane?
The InChIKey is APOWPHUZEGIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c16-15(10-5-12-17-13-11-15)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,17H,4-5,8-13H2.
What are the key properties of 4-fluoro-4-(3-phenylpropyl)azepane?
4-fluoro-4-(3-phenylpropyl)azepane has a molecular weight of 235.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-phenylpropyl)azepane is sourced from PubChem (CID 103984045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).