2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine

C7H8F3N — CID 142067133

IUPAC2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5(2)4-11-6(3)7(8,9)10/h4H,1,3H2,2H3/b11-4+
InChIKeyVAMGLOAETNUVNI-NYYWCZLTSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine

2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine (PubChem CID 142067133) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
PubChem CID142067133
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5(2)4-11-6(3)7(8,9)10/h4H,1,3H2,2H3/b11-4+
InChIKeyVAMGLOAETNUVNI-NYYWCZLTSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
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 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine (CID 142067133) is 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine is C=C(C)/C=N/C(=C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine?
The InChIKey is VAMGLOAETNUVNI-NYYWCZLTSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5(2)4-11-6(3)7(8,9)10/h4H,1,3H2,2H3/b11-4+.
What are the key properties of 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine?
2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 142067133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).