(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine

C7H11F3N2 — CID 143775396

IUPAC(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine
SMILESCC/C=C/N/N=C(\C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-4-5-11-12-6(2)7(8,9)10/h4-5,11H,3H2,1-2H3/b5-4+,12-6+
InChIKeyKWVFILKKMWAFML-ICLXBRQCSA-N
MW180.17 g/mol
LogP2.44
Rot. Bonds3

About (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine

(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine (PubChem CID 143775396) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine
PubChem CID143775396
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine
SMILESCC/C=C/N/N=C(\C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-4-5-11-12-6(2)7(8,9)10/h4-5,11H,3H2,1-2H3/b5-4+,12-6+
InChIKeyKWVFILKKMWAFML-ICLXBRQCSA-N
XLogP2.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine?
The IUPAC name of (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine (CID 143775396) is (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine?
The canonical SMILES for (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine is CC/C=C/N/N=C(\C)C(F)(F)F.
What is the InChIKey of (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine?
The InChIKey is KWVFILKKMWAFML-ICLXBRQCSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-3-4-5-11-12-6(2)7(8,9)10/h4-5,11H,3H2,1-2H3/b5-4+,12-6+.
What are the key properties of (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine?
(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine has a molecular weight of 180.17 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine is sourced from PubChem (CID 143775396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).