N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine

C6H5F6N — CID 71366713

IUPACN-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine
SMILESCCN=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6N/c1-2-13-3-4(5(7,8)9)6(10,11)12/h2H2,1H3
InChIKeyCAAJVARGTIGENA-UHFFFAOYSA-N
MW205.10 g/mol
LogP2.73
Rot. Bonds1

About N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine

N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine (PubChem CID 71366713) has the molecular formula C6H5F6N and a molecular weight of 205.10 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine
PubChem CID71366713
Molecular FormulaC6H5F6N
Molecular Weight205.10 g/mol
Exact Mass205.03
IUPAC NameN-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine
SMILESCCN=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6N/c1-2-13-3-4(5(7,8)9)6(10,11)12/h2H2,1H3
InChIKeyCAAJVARGTIGENA-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 52.73
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-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine (CID 71366713) is N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine is CCN=C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine?
The InChIKey is CAAJVARGTIGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6N/c1-2-13-3-4(5(7,8)9)6(10,11)12/h2H2,1H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine?
N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine has a molecular weight of 205.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine is sourced from PubChem (CID 71366713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).