(E)-2-(trifluoromethyl)but-2-en-1-imine

C5H6F3N — CID 123982944

IUPAC(E)-2-(trifluoromethyl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-2-4(3-9)5(6,7)8/h2-3,9H,1H3/b4-2+,9-3+
InChIKeyXNPVZHVDFOSAON-QIAUARBPSA-N
MW137.10 g/mol
LogP2.14
Rot. Bonds1

About (E)-2-(trifluoromethyl)but-2-en-1-imine

(E)-2-(trifluoromethyl)but-2-en-1-imine (PubChem CID 123982944) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is (E)-2-(trifluoromethyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(trifluoromethyl)but-2-en-1-imine
PubChem CID123982944
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC Name(E)-2-(trifluoromethyl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-2-4(3-9)5(6,7)8/h2-3,9H,1H3/b4-2+,9-3+
InChIKeyXNPVZHVDFOSAON-QIAUARBPSA-N
XLogP2.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(trifluoromethyl)but-2-en-1-imine?
The IUPAC name of (E)-2-(trifluoromethyl)but-2-en-1-imine (CID 123982944) is (E)-2-(trifluoromethyl)but-2-en-1-imine.
What is the SMILES notation for (E)-2-(trifluoromethyl)but-2-en-1-imine?
The canonical SMILES for (E)-2-(trifluoromethyl)but-2-en-1-imine is [H]/N=C/C(=C\C)C(F)(F)F.
What is the InChIKey of (E)-2-(trifluoromethyl)but-2-en-1-imine?
The InChIKey is XNPVZHVDFOSAON-QIAUARBPSA-N. The full InChI is InChI=1S/C5H6F3N/c1-2-4(3-9)5(6,7)8/h2-3,9H,1H3/b4-2+,9-3+.
What are the key properties of (E)-2-(trifluoromethyl)but-2-en-1-imine?
(E)-2-(trifluoromethyl)but-2-en-1-imine has a molecular weight of 137.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(trifluoromethyl)but-2-en-1-imine is sourced from PubChem (CID 123982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).