1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane

C13H18F2N2 — CID 64943922

IUPAC1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane
SMILESCCC1CN(c2c(F)cccc2F)CCCN1
InChIInChI=1S/C13H18F2N2/c1-2-10-9-17(8-4-7-16-10)13-11(14)5-3-6-12(13)15/h3,5-6,10,16H,2,4,7-9H2,1H3
InChIKeyUFZQQROMDGYNFR-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.54
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane

1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane (PubChem CID 64943922) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane
PubChem CID64943922
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane
SMILESCCC1CN(c2c(F)cccc2F)CCCN1
InChIInChI=1S/C13H18F2N2/c1-2-10-9-17(8-4-7-16-10)13-11(14)5-3-6-12(13)15/h3,5-6,10,16H,2,4,7-9H2,1H3
InChIKeyUFZQQROMDGYNFR-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane 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

3-ethyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64942718
3-ethyl-1-(2,3,4,5,6-pentafluorophenyl)-1,4-diazepane
CID 115565132
3-ethyl-1-(2-fluorophenyl)piperazine
CID 64924612
1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64944507
3-ethyl-1-(5-fluoro-2-methylphenyl)-1,4-diazepane
CID 64944694
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane
CID 114840926
3-ethyl-1-(2,3,4,5,6-pentafluorophenyl)piperazine
CID 115565133
3-ethyl-1-[3-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943718
3-ethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane
CID 64943135
1-(4-chloro-2-methylphenyl)-3-ethyl-1,4-diazepane
CID 114256615
5-chloro-4-(3-ethyl-1,4-diazepan-1-yl)-2,1,3-benzothiadiazole
CID 65450495
4-ethyl-1-(4-fluorophenyl)-1,5-diazocane
CID 54973042

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane?
The IUPAC name of 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane (CID 64943922) is 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane is CCC1CN(c2c(F)cccc2F)CCCN1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane?
The InChIKey is UFZQQROMDGYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-10-9-17(8-4-7-16-10)13-11(14)5-3-6-12(13)15/h3,5-6,10,16H,2,4,7-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane?
1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane has a molecular weight of 240.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane is sourced from PubChem (CID 64943922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).