1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane

C10H19F3N2O — CID 172738405

IUPAC1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESCOCCN1CCNCCC1CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-7-6-15-5-4-14-3-2-9(15)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyITJFXENJLQXSAN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane

1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane (PubChem CID 172738405) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane
PubChem CID172738405
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESCOCCN1CCNCCC1CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-7-6-15-5-4-14-3-2-9(15)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyITJFXENJLQXSAN-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-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

N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
ethane;N'-methyl-N'-pentyl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 172335146
ethane;N-[(3-fluoropyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335581
N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335755
ethane;N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 172335926
1-(2-Propan-2-yloxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 172797737
1-(2-Ethoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 172800890
N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 176601790
N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43756309
N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43758424
1-piperidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 54960405

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane?
The IUPAC name of 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane (CID 172738405) is 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane.
What is the SMILES notation for 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane?
The canonical SMILES for 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane is COCCN1CCNCCC1CC(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane?
The InChIKey is ITJFXENJLQXSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-7-6-15-5-4-14-3-2-9(15)8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane?
1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane has a molecular weight of 240.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-(2,2,2-trifluoroethyl)-1,4-diazepane is sourced from PubChem (CID 172738405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).