N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine

C6H7F3N2 — CID 167231672

IUPACN'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-5(6(7,8)9)4-11-3-2-10/h2-4,10H,1H3/b5-4+,10-2+,11-3+
InChIKeyBEYPPKUZUUQSIH-BEQPTUEVSA-N
MW164.13 g/mol
LogP2.17
Rot. Bonds2

About N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine

N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine (PubChem CID 167231672) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine
PubChem CID167231672
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-5(6(7,8)9)4-11-3-2-10/h2-4,10H,1H3/b5-4+,10-2+,11-3+
InChIKeyBEYPPKUZUUQSIH-BEQPTUEVSA-N
XLogP2.17
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.17
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 N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine?
The IUPAC name of N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine (CID 167231672) is N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine?
The canonical SMILES for N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine is [H]/N=C/C=N/C=C(\C)C(F)(F)F.
What is the InChIKey of N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine?
The InChIKey is BEYPPKUZUUQSIH-BEQPTUEVSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-5(6(7,8)9)4-11-3-2-10/h2-4,10H,1H3/b5-4+,10-2+,11-3+.
What are the key properties of N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine?
N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine has a molecular weight of 164.13 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 167231672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).