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

C5H6F3N — CID 134257495

IUPACN-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine
SMILESC=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-4(3-9-2)5(6,7)8/h3H,2H2,1H3/b4-3+
InChIKeyKEEMDMCIQXZMED-ONEGZZNKSA-N
MW137.10 g/mol
LogP2.15
Rot. Bonds1

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

N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine (PubChem CID 134257495) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine
PubChem CID134257495
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC NameN-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine
SMILESC=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-4(3-9-2)5(6,7)8/h3H,2H2,1H3/b4-3+
InChIKeyKEEMDMCIQXZMED-ONEGZZNKSA-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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Related Compounds

N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine
CID 22964143
N-(2-fluoroprop-1-enyl)methanimine
CID 123412974
N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine
CID 137409517
N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
CID 137409528
(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
CID 167172073
N-[(E)-2-fluoroprop-1-enyl]methanimine
CID 143262121

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine?
The IUPAC name of N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine (CID 134257495) is N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine is C=N/C=C(\C)C(F)(F)F.
What is the InChIKey of N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine?
The InChIKey is KEEMDMCIQXZMED-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H6F3N/c1-4(3-9-2)5(6,7)8/h3H,2H2,1H3/b4-3+.
What are the key properties of N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine?
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine 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-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine is sourced from PubChem (CID 134257495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).