N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine

C7H16F2N2 — CID 155737980

IUPACN'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC(F)F
InChIInChI=1S/C7H16F2N2/c1-10(2)4-5-11(3)6-7(8)9/h7H,4-6H2,1-3H3
InChIKeyDNDDSHDQVNOIMM-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.74
Rot. Bonds5

About N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 155737980) has the molecular formula C7H16F2N2 and a molecular weight of 166.22 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID155737980
Molecular FormulaC7H16F2N2
Molecular Weight166.22 g/mol
Exact Mass166.13
IUPAC NameN'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC(F)F
InChIInChI=1S/C7H16F2N2/c1-10(2)4-5-11(3)6-7(8)9/h7H,4-6H2,1-3H3
InChIKeyDNDDSHDQVNOIMM-UHFFFAOYSA-N
XLogP0.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine 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-[2,2-difluoroethyl(methyl)amino]propanethioamide
CID 60923206
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol
CID 144877436
5-[2,2-difluoroethyl(methyl)amino]pentanenitrile
CID 115611801
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65016819
1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 63694501
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 163585742
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
CID 88826921
CID 88826921
CID 175787026
CID 175787026
CID 173338058
CID 173338058

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine (CID 155737980) is N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is DNDDSHDQVNOIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2/c1-10(2)4-5-11(3)6-7(8)9/h7H,4-6H2,1-3H3.
What are the key properties of N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 166.22 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 155737980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).