N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine

C5H6F3N — CID 147943522

IUPACN-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine
SMILESC=C(/N=C/C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-3-9-4(2)5(6,7)8/h3H,2H2,1H3/b9-3+
InChIKeyIMFJFXUPACNWKD-YCRREMRBSA-N
MW137.10 g/mol
LogP2.15
Rot. Bonds1

About N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine

N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine (PubChem CID 147943522) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine
PubChem CID147943522
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC NameN-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine
SMILESC=C(/N=C/C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-3-9-4(2)5(6,7)8/h3H,2H2,1H3/b9-3+
InChIKeyIMFJFXUPACNWKD-YCRREMRBSA-N
XLogP2.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 52.15
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-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine?
The IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine (CID 147943522) is N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine.
What is the SMILES notation for N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine?
The canonical SMILES for N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine is C=C(/N=C/C)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine?
The InChIKey is IMFJFXUPACNWKD-YCRREMRBSA-N. The full InChI is InChI=1S/C5H6F3N/c1-3-9-4(2)5(6,7)8/h3H,2H2,1H3/b9-3+.
What are the key properties of N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine?
N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine has a molecular weight of 137.10 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimine is sourced from PubChem (CID 147943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).