N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine

C7H10F3N — CID 152952815

IUPACN-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(2)11-4-6(3)7(8,9)10/h4H,1-3H3/b6-4+
InChIKeyUPAQHXTWKHRUCI-GQCTYLIASA-N
MW165.16 g/mol
LogP2.93
Rot. Bonds1

About N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine

N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine (PubChem CID 152952815) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine
PubChem CID152952815
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC NameN-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(2)11-4-6(3)7(8,9)10/h4H,1-3H3/b6-4+
InChIKeyUPAQHXTWKHRUCI-GQCTYLIASA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
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 N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine?
The IUPAC name of N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine (CID 152952815) is N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine?
The canonical SMILES for N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine is CC(C)=N/C=C(\C)C(F)(F)F.
What is the InChIKey of N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine?
The InChIKey is UPAQHXTWKHRUCI-GQCTYLIASA-N. The full InChI is InChI=1S/C7H10F3N/c1-5(2)11-4-6(3)7(8,9)10/h4H,1-3H3/b6-4+.
What are the key properties of N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine?
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine has a molecular weight of 165.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine is sourced from PubChem (CID 152952815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).