2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate

C10H16F3NO — CID 142399899

IUPAC2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate
SMILESC/C(=C\N=C\OCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H16F3NO/c1-8(9(2,3)4)5-14-7-15-6-10(11,12)13/h5,7H,6H2,1-4H3/b8-5+,14-7+
InChIKeyZEYGDIYYZAZSKN-MNJDMZAHSA-N
MW223.24 g/mol
LogP3.54
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate

2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate (PubChem CID 142399899) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate
PubChem CID142399899
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate
SMILESC/C(=C\N=C\OCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H16F3NO/c1-8(9(2,3)4)5-14-7-15-6-10(11,12)13/h5,7H,6H2,1-4H3/b8-5+,14-7+
InChIKeyZEYGDIYYZAZSKN-MNJDMZAHSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

O-(2,2,2-trifluoroethyl) methanethioate
CID 87599536
hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 174548600
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
CID 161135857
(1E)-2-methyl-1-(2,2,2-trifluoroethoxy)buta-1,3-dien-1-amine
CID 138703095
2,2,2-trifluoroethyl (1E)-N-[1-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]methanimidate
CID 153299562
N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
CID 134253328
(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
CID 143345542
2,2-bis(2,2,2-trifluoroethoxy)propane
CID 18927635
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
CID 143770359
2,2,2-trifluoroethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 13199102
2-methylprop-1-enyl(2,2,2-trifluoroethoxy)silane
CID 150189388

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate (CID 142399899) is 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate is C/C(=C\N=C\OCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate?
The InChIKey is ZEYGDIYYZAZSKN-MNJDMZAHSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-8(9(2,3)4)5-14-7-15-6-10(11,12)13/h5,7H,6H2,1-4H3/b8-5+,14-7+.
What are the key properties of 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate?
2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate has a molecular weight of 223.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate is sourced from PubChem (CID 142399899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).