ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

C16H25F6NO3 — CID 142161838

IUPACethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
SMILESC=C/C=C\C(=C/C)C(=O)N(C)OC.CC.CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15NO2.C4H4F6O.C2H6/c1-5-7-8-9(6-2)10(12)11(3)13-4;1-2(11,3(5,6)7)4(8,9)10;1-2/h5-8H,1H2,2-4H3;11H,1H3;1-2H3/b8-7-,9-6+;;
InChIKeyLNQMUAQHXDXBQA-NVZZFEHSSA-N
MW393.37 g/mol
LogP4.58
Rot. Bonds4

About ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol (PubChem CID 142161838) has the molecular formula C16H25F6NO3 and a molecular weight of 393.37 g/mol. Its IUPAC name is ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Nameethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
PubChem CID142161838
Molecular FormulaC16H25F6NO3
Molecular Weight393.37 g/mol
Exact Mass393.17
IUPAC Nameethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
SMILESC=C/C=C\C(=C/C)C(=O)N(C)OC.CC.CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15NO2.C4H4F6O.C2H6/c1-5-7-8-9(6-2)10(12)11(3)13-4;1-2(11,3(5,6)7)4(8,9)10;1-2/h5-8H,1H2,2-4H3;11H,1H3;1-2H3/b8-7-,9-6+;;
InChIKeyLNQMUAQHXDXBQA-NVZZFEHSSA-N
XLogP4.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol 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;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
The IUPAC name of ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol (CID 142161838) is ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol.
What is the SMILES notation for ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
The canonical SMILES for ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol is C=C/C=C\C(=C/C)C(=O)N(C)OC.CC.CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
The InChIKey is LNQMUAQHXDXBQA-NVZZFEHSSA-N. The full InChI is InChI=1S/C10H15NO2.C4H4F6O.C2H6/c1-5-7-8-9(6-2)10(12)11(3)13-4;1-2(11,3(5,6)7)4(8,9)10;1-2/h5-8H,1H2,2-4H3;11H,1H3;1-2H3/b8-7-,9-6+;;.
What are the key properties of ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol has a molecular weight of 393.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol is sourced from PubChem (CID 142161838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).