2,2,2-trifluoro-N-prop-2-enylethanimine

C5H6F3N — CID 11412416

IUPAC2,2,2-trifluoro-N-prop-2-enylethanimine
SMILESC=CC/N=C/C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-2-3-9-4-5(6,7)8/h2,4H,1,3H2/b9-4+
InChIKeyJPSMTBNJZBUFPB-RUDMXATFSA-N
MW137.10 g/mol
LogP1.81
Rot. Bonds2

About 2,2,2-trifluoro-N-prop-2-enylethanimine

2,2,2-trifluoro-N-prop-2-enylethanimine (PubChem CID 11412416) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-prop-2-enylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-prop-2-enylethanimine
PubChem CID11412416
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC Name2,2,2-trifluoro-N-prop-2-enylethanimine
SMILESC=CC/N=C/C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-2-3-9-4-5(6,7)8/h2,4H,1,3H2/b9-4+
InChIKeyJPSMTBNJZBUFPB-RUDMXATFSA-N
XLogP1.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-prop-2-enylethanimine?
The IUPAC name of 2,2,2-trifluoro-N-prop-2-enylethanimine (CID 11412416) is 2,2,2-trifluoro-N-prop-2-enylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-prop-2-enylethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-prop-2-enylethanimine is C=CC/N=C/C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-prop-2-enylethanimine?
The InChIKey is JPSMTBNJZBUFPB-RUDMXATFSA-N. The full InChI is InChI=1S/C5H6F3N/c1-2-3-9-4-5(6,7)8/h2,4H,1,3H2/b9-4+.
What are the key properties of 2,2,2-trifluoro-N-prop-2-enylethanimine?
2,2,2-trifluoro-N-prop-2-enylethanimine has a molecular weight of 137.10 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-prop-2-enylethanimine is sourced from PubChem (CID 11412416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).