ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine

C10H24F2N2 — CID 156820018

IUPACethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCC.CCN(C)CC(F)(F)C(C)NC
InChIInChI=1S/C8H18F2N2.C2H6/c1-5-12(4)6-8(9,10)7(2)11-3;1-2/h7,11H,5-6H2,1-4H3;1-2H3
InChIKeyZNPIBCGUJTYEDE-UHFFFAOYSA-N
MW210.31 g/mol
LogP2.21
Rot. Bonds5

About ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine

ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 156820018) has the molecular formula C10H24F2N2 and a molecular weight of 210.31 g/mol. Its IUPAC name is ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Nameethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID156820018
Molecular FormulaC10H24F2N2
Molecular Weight210.31 g/mol
Exact Mass210.19
IUPAC Nameethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCC.CCN(C)CC(F)(F)C(C)NC
InChIInChI=1S/C8H18F2N2.C2H6/c1-5-12(4)6-8(9,10)7(2)11-3;1-2/h7,11H,5-6H2,1-4H3;1-2H3
InChIKeyZNPIBCGUJTYEDE-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-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 ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine (CID 156820018) is ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine is CC.CCN(C)CC(F)(F)C(C)NC.
What is the InChIKey of ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is ZNPIBCGUJTYEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2.C2H6/c1-5-12(4)6-8(9,10)7(2)11-3;1-2/h7,11H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine?
ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 210.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-ethyl-2,2-difluoro-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 156820018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).