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

C6H8F3N — CID 123716011

IUPACN-methyl-2-(trifluoromethyl)but-2-en-1-imine
SMILESCC=C(/C=N/C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-5(4-10-2)6(7,8)9/h3-4H,1-2H3/b5-3?,10-4+
InChIKeyDPGPCMRFSVGHTC-DLFZNRPYSA-N
MW151.13 g/mol
LogP2.20
Rot. Bonds1

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

N-methyl-2-(trifluoromethyl)but-2-en-1-imine (PubChem CID 123716011) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethyl)but-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethyl)but-2-en-1-imine
PubChem CID123716011
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC NameN-methyl-2-(trifluoromethyl)but-2-en-1-imine
SMILESCC=C(/C=N/C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-5(4-10-2)6(7,8)9/h3-4H,1-2H3/b5-3?,10-4+
InChIKeyDPGPCMRFSVGHTC-DLFZNRPYSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.20
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-methyl-2-(trifluoromethyl)but-2-en-1-imine?
The IUPAC name of N-methyl-2-(trifluoromethyl)but-2-en-1-imine (CID 123716011) is N-methyl-2-(trifluoromethyl)but-2-en-1-imine.
What is the SMILES notation for N-methyl-2-(trifluoromethyl)but-2-en-1-imine?
The canonical SMILES for N-methyl-2-(trifluoromethyl)but-2-en-1-imine is CC=C(/C=N/C)C(F)(F)F.
What is the InChIKey of N-methyl-2-(trifluoromethyl)but-2-en-1-imine?
The InChIKey is DPGPCMRFSVGHTC-DLFZNRPYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-3-5(4-10-2)6(7,8)9/h3-4H,1-2H3/b5-3?,10-4+.
What are the key properties of N-methyl-2-(trifluoromethyl)but-2-en-1-imine?
N-methyl-2-(trifluoromethyl)but-2-en-1-imine has a molecular weight of 151.13 g/mol, XLogP of 2.20, 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)but-2-en-1-imine is sourced from PubChem (CID 123716011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).