N-methyl-2-(trifluoromethyl)prop-2-en-1-imine

C5H6F3N — CID 90766400

IUPACN-methyl-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C=N/C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-4(3-9-2)5(6,7)8/h3H,1H2,2H3/b9-3+
InChIKeyDLMQKWZILUXZAU-YCRREMRBSA-N
MW137.10 g/mol
LogP1.81
Rot. Bonds1

About N-methyl-2-(trifluoromethyl)prop-2-en-1-imine

N-methyl-2-(trifluoromethyl)prop-2-en-1-imine (PubChem CID 90766400) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethyl)prop-2-en-1-imine
PubChem CID90766400
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC NameN-methyl-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C=N/C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-4(3-9-2)5(6,7)8/h3H,1H2,2H3/b9-3+
InChIKeyDLMQKWZILUXZAU-YCRREMRBSA-N
XLogP1.81
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 ≤ 51.81
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

3,3-difluoro-N-methyl-2-methylidenebutan-1-imine
CID 123703338
N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 123716011
N-ethenyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 124133551
(E)-N-ethyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124182063
(E)-N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124184066
4-(trifluoromethyl)-2H-pyrrole
CID 129305257
(2Z)-N-ethyl-2-(fluoromethylidene)butan-1-imine
CID 134189354
(Z)-3-fluoro-N,2-dimethylprop-2-en-1-imine
CID 134189427
2-(fluoromethyl)-N-methylprop-2-en-1-imine
CID 139563768
2-(difluoromethyl)-N-methylprop-2-en-1-imine
CID 139563770
N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
CID 142067133

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(trifluoromethyl)prop-2-en-1-imine?
The IUPAC name of N-methyl-2-(trifluoromethyl)prop-2-en-1-imine (CID 90766400) is N-methyl-2-(trifluoromethyl)prop-2-en-1-imine.
What is the SMILES notation for N-methyl-2-(trifluoromethyl)prop-2-en-1-imine?
The canonical SMILES for N-methyl-2-(trifluoromethyl)prop-2-en-1-imine is C=C(/C=N/C)C(F)(F)F.
What is the InChIKey of N-methyl-2-(trifluoromethyl)prop-2-en-1-imine?
The InChIKey is DLMQKWZILUXZAU-YCRREMRBSA-N. The full InChI is InChI=1S/C5H6F3N/c1-4(3-9-2)5(6,7)8/h3H,1H2,2H3/b9-3+.
What are the key properties of N-methyl-2-(trifluoromethyl)prop-2-en-1-imine?
N-methyl-2-(trifluoromethyl)prop-2-en-1-imine has a molecular weight of 137.10 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(trifluoromethyl)prop-2-en-1-imine is sourced from PubChem (CID 90766400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).