[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine

C6H9F3N2 — CID 163867806

IUPAC[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine
SMILESC/C=C(\C=NCN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-5(3-11-4-10)6(7,8)9/h2-3H,4,10H2,1H3/b5-2+,11-3?
InChIKeyPIEABJLLFZRTFV-PQCMQACKSA-N
MW166.15 g/mol
LogP1.48
Rot. Bonds2

About [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine

[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine (PubChem CID 163867806) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine.

Molecular Properties

Compound Name[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine
PubChem CID163867806
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine
SMILESC/C=C(\C=NCN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-5(3-11-4-10)6(7,8)9/h2-3H,4,10H2,1H3/b5-2+,11-3?
InChIKeyPIEABJLLFZRTFV-PQCMQACKSA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-enylidene]amino]methanamine?
The IUPAC name of [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine (CID 163867806) is [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine.
What is the SMILES notation for [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine?
The canonical SMILES for [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine is C/C=C(\C=NCN)C(F)(F)F.
What is the InChIKey of [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine?
The InChIKey is PIEABJLLFZRTFV-PQCMQACKSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-5(3-11-4-10)6(7,8)9/h2-3H,4,10H2,1H3/b5-2+,11-3?.
What are the key properties of [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine?
[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine has a molecular weight of 166.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine is sourced from PubChem (CID 163867806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).