(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine

C8H4F12N2 — CID 177383651

IUPAC(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine
SMILESN/C(=C(C(=C(\N)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12N2/c9-5(10,11)1(3(21)7(15,16)17)2(6(12,13)14)4(22)8(18,19)20/h21-22H2/b3-1-,4-2+
InChIKeyOXOUPAGCACKSRH-HSFFGMMNSA-N
MW356.11 g/mol
LogP3.66
Rot. Bonds1

About (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine

(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine (PubChem CID 177383651) has the molecular formula C8H4F12N2 and a molecular weight of 356.11 g/mol. Its IUPAC name is (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine
PubChem CID177383651
Molecular FormulaC8H4F12N2
Molecular Weight356.11 g/mol
Exact Mass356.02
IUPAC Name(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine
SMILESN/C(=C(C(=C(\N)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12N2/c9-5(10,11)1(3(21)7(15,16)17)2(6(12,13)14)4(22)8(18,19)20/h21-22H2/b3-1-,4-2+
InChIKeyOXOUPAGCACKSRH-HSFFGMMNSA-N
XLogP3.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-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 (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine?
The IUPAC name of (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine (CID 177383651) is (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine.
What is the SMILES notation for (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine?
The canonical SMILES for (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine is N/C(=C(C(=C(\N)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine?
The InChIKey is OXOUPAGCACKSRH-HSFFGMMNSA-N. The full InChI is InChI=1S/C8H4F12N2/c9-5(10,11)1(3(21)7(15,16)17)2(6(12,13)14)4(22)8(18,19)20/h21-22H2/b3-1-,4-2+.
What are the key properties of (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine?
(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine has a molecular weight of 356.11 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine is sourced from PubChem (CID 177383651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).