4-[(4-fluoroazepan-4-yl)methyl]morpholine

C11H21FN2O — CID 84682039

IUPAC4-[(4-fluoroazepan-4-yl)methyl]morpholine
SMILESFC1(CN2CCOCC2)CCCNCC1
InChIInChI=1S/C11H21FN2O/c12-11(2-1-4-13-5-3-11)10-14-6-8-15-9-7-14/h13H,1-10H2
InChIKeyCHRWOZZPPHWRID-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.80
Rot. Bonds2

About 4-[(4-fluoroazepan-4-yl)methyl]morpholine

4-[(4-fluoroazepan-4-yl)methyl]morpholine (PubChem CID 84682039) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 4-[(4-fluoroazepan-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-fluoroazepan-4-yl)methyl]morpholine
PubChem CID84682039
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name4-[(4-fluoroazepan-4-yl)methyl]morpholine
SMILESFC1(CN2CCOCC2)CCCNCC1
InChIInChI=1S/C11H21FN2O/c12-11(2-1-4-13-5-3-11)10-14-6-8-15-9-7-14/h13H,1-10H2
InChIKeyCHRWOZZPPHWRID-UHFFFAOYSA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-fluoroazepan-4-yl)methyl]morpholine 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-[(4-fluoroazepan-4-yl)methyl]morpholine?
The IUPAC name of 4-[(4-fluoroazepan-4-yl)methyl]morpholine (CID 84682039) is 4-[(4-fluoroazepan-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-fluoroazepan-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-fluoroazepan-4-yl)methyl]morpholine is FC1(CN2CCOCC2)CCCNCC1.
What is the InChIKey of 4-[(4-fluoroazepan-4-yl)methyl]morpholine?
The InChIKey is CHRWOZZPPHWRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c12-11(2-1-4-13-5-3-11)10-14-6-8-15-9-7-14/h13H,1-10H2.
What are the key properties of 4-[(4-fluoroazepan-4-yl)methyl]morpholine?
4-[(4-fluoroazepan-4-yl)methyl]morpholine has a molecular weight of 216.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoroazepan-4-yl)methyl]morpholine is sourced from PubChem (CID 84682039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).