N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine

C21H25F2NO — CID 89493055

IUPACN-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine
SMILESFC(F)(COCCCCCC/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25F2NO/c22-21(23,20-13-7-4-8-14-20)18-25-16-10-2-1-9-15-24-17-19-11-5-3-6-12-19/h3-8,11-14,17H,1-2,9-10,15-16,18H2/b24-17+
InChIKeyRMISGWIUVLADHB-JJIBRWJFSA-N
MW345.43 g/mol
LogP5.47
Rot. Bonds11

About N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine

N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine (PubChem CID 89493055) has the molecular formula C21H25F2NO and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine
PubChem CID89493055
Molecular FormulaC21H25F2NO
Molecular Weight345.43 g/mol
Exact Mass345.19
IUPAC NameN-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine
SMILESFC(F)(COCCCCCC/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25F2NO/c22-21(23,20-13-7-4-8-14-20)18-25-16-10-2-1-9-15-24-17-19-11-5-3-6-12-19/h3-8,11-14,17H,1-2,9-10,15-16,18H2/b24-17+
InChIKeyRMISGWIUVLADHB-JJIBRWJFSA-N
XLogP5.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine 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 N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine?
The IUPAC name of N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine (CID 89493055) is N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine.
What is the SMILES notation for N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine?
The canonical SMILES for N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine is FC(F)(COCCCCCC/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine?
The InChIKey is RMISGWIUVLADHB-JJIBRWJFSA-N. The full InChI is InChI=1S/C21H25F2NO/c22-21(23,20-13-7-4-8-14-20)18-25-16-10-2-1-9-15-24-17-19-11-5-3-6-12-19/h3-8,11-14,17H,1-2,9-10,15-16,18H2/b24-17+.
What are the key properties of N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine?
N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine has a molecular weight of 345.43 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoro-2-phenylethoxy)hexyl]-1-phenylmethanimine is sourced from PubChem (CID 89493055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).