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

C11H15F3N2 — CID 143693367

IUPAC(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
InChIInChI=1S/C11H15F3N2/c1-5-6-7-8(2)15-10(4)16-9(3)11(12,13)14/h6-7,15H,2,4-5H2,1,3H3/b7-6-,16-9+
InChIKeyHYCJPDIABVLYAF-GMDIYDSJSA-N
MW232.25 g/mol
LogP3.55
Rot. Bonds5

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

(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine (PubChem CID 143693367) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine
PubChem CID143693367
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name(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
InChIInChI=1S/C11H15F3N2/c1-5-6-7-8(2)15-10(4)16-9(3)11(12,13)14/h6-7,15H,2,4-5H2,1,3H3/b7-6-,16-9+
InChIKeyHYCJPDIABVLYAF-GMDIYDSJSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.55
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 (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine (CID 143693367) is (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
The canonical SMILES for (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.
What is the InChIKey of (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
The InChIKey is HYCJPDIABVLYAF-GMDIYDSJSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-5-6-7-8(2)15-10(4)16-9(3)11(12,13)14/h6-7,15H,2,4-5H2,1,3H3/b7-6-,16-9+.
What are the key properties of (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine?
(3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine has a molecular weight of 232.25 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[1-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenyl]hexa-1,3-dien-2-amine is sourced from PubChem (CID 143693367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).