(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine

C10H6F16N2 — CID 142488202

IUPAC(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine
SMILESFC(F)(F)N(C/C=C/CN(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F16N2/c11-5(12,13)7(17,18)27(9(21,22)23)3-1-2-4-28(10(24,25)26)8(19,20)6(14,15)16/h1-2H,3-4H2/b2-1+
InChIKeyCZHAGYGBWZBTBZ-OWOJBTEDSA-N
MW458.14 g/mol
LogP5.50
Rot. Bonds6

About (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine

(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine (PubChem CID 142488202) has the molecular formula C10H6F16N2 and a molecular weight of 458.14 g/mol. Its IUPAC name is (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine
PubChem CID142488202
Molecular FormulaC10H6F16N2
Molecular Weight458.14 g/mol
Exact Mass458.03
IUPAC Name(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine
SMILESFC(F)(F)N(C/C=C/CN(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F16N2/c11-5(12,13)7(17,18)27(9(21,22)23)3-1-2-4-28(10(24,25)26)8(19,20)6(14,15)16/h1-2H,3-4H2/b2-1+
InChIKeyCZHAGYGBWZBTBZ-OWOJBTEDSA-N
XLogP5.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.14
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-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 (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine (CID 142488202) is (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine is FC(F)(F)N(C/C=C/CN(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine?
The InChIKey is CZHAGYGBWZBTBZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H6F16N2/c11-5(12,13)7(17,18)27(9(21,22)23)3-1-2-4-28(10(24,25)26)8(19,20)6(14,15)16/h1-2H,3-4H2/b2-1+.
What are the key properties of (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine?
(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine has a molecular weight of 458.14 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 142488202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).