ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine

C13H21F3N2 — CID 143693366

IUPACethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NC(=C)/N=C(\C)C(F)(F)F.CC
InChIInChI=1S/C11H15F3N2.C2H6/c1-5-6-7-8(2)15-10(4)16-9(3)11(12,13)14;1-2/h6-7,15H,2,4-5H2,1,3H3;1-2H3/b7-6-,16-9+;
InChIKeyWCRWPJGXTZSZSZ-BEMVQOCNSA-N
MW262.32 g/mol
LogP4.58
Rot. Bonds5

About ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine

ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine (PubChem CID 143693366) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine
PubChem CID143693366
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Nameethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NC(=C)/N=C(\C)C(F)(F)F.CC
InChIInChI=1S/C11H15F3N2.C2H6/c1-5-6-7-8(2)15-10(4)16-9(3)11(12,13)14;1-2/h6-7,15H,2,4-5H2,1,3H3;1-2H3/b7-6-,16-9+;
InChIKeyWCRWPJGXTZSZSZ-BEMVQOCNSA-N
XLogP4.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
The IUPAC name of ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine (CID 143693366) is ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine.
What is the SMILES notation for ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
The canonical SMILES for ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine is C=C(/C=C\CC)NC(=C)/N=C(\C)C(F)(F)F.CC.
What is the InChIKey of ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
The InChIKey is WCRWPJGXTZSZSZ-BEMVQOCNSA-N. The full InChI is InChI=1S/C11H15F3N2.C2H6/c1-5-6-7-8(2)15-10(4)16-9(3)11(12,13)14;1-2/h6-7,15H,2,4-5H2,1,3H3;1-2H3/b7-6-,16-9+;.
What are the key properties of ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine has a molecular weight of 262.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine is sourced from PubChem (CID 143693366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).