N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine

C12H25F3N2 — CID 79260502

IUPACN-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)CC(C)(C)NCCNCC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-10(2,3)8-11(4,5)17-7-6-16-9-12(13,14)15/h16-17H,6-9H2,1-5H3
InChIKeyQDCCLCNJPLJJIY-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.94
Rot. Bonds6

About N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine

N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine (PubChem CID 79260502) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
PubChem CID79260502
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)CC(C)(C)NCCNCC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-10(2,3)8-11(4,5)17-7-6-16-9-12(13,14)15/h16-17H,6-9H2,1-5H3
InChIKeyQDCCLCNJPLJJIY-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-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

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine (CID 79260502) is N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine is CC(C)(C)CC(C)(C)NCCNCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is QDCCLCNJPLJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-10(2,3)8-11(4,5)17-7-6-16-9-12(13,14)15/h16-17H,6-9H2,1-5H3.
What are the key properties of N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79260502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).