2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine

C7H16F2N2 — CID 165462267

IUPAC2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CC(F)(F)CN
InChIInChI=1S/C7H16F2N2/c1-3-4-11(2)6-7(8,9)5-10/h3-6,10H2,1-2H3
InChIKeyYDJRWHGGVPEYIE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.92
Rot. Bonds5

About 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine

2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine (PubChem CID 165462267) has the molecular formula C7H16F2N2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
PubChem CID165462267
Molecular FormulaC7H16F2N2
Molecular Weight166.22 g/mol
Exact Mass166.13
IUPAC Name2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CC(F)(F)CN
InChIInChI=1S/C7H16F2N2/c1-3-4-11(2)6-7(8,9)5-10/h3-6,10H2,1-2H3
InChIKeyYDJRWHGGVPEYIE-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine 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 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine (CID 165462267) is 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine is CCCN(C)CC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is YDJRWHGGVPEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2/c1-3-4-11(2)6-7(8,9)5-10/h3-6,10H2,1-2H3.
What are the key properties of 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine?
2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 166.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 165462267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).