N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine

C11H11F3N2 — CID 144677811

IUPACN-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine
SMILESC=c1cc(C(F)(F)F)cn/c1=C(C)/N=C/C
InChIInChI=1S/C11H11F3N2/c1-4-15-8(3)10-7(2)5-9(6-16-10)11(12,13)14/h4-6H,2H2,1,3H3/b10-8+,15-4+
InChIKeyWOFLKHYPZVSJLK-QQCXGBIESA-N
MW228.22 g/mol
LogP1.73
Rot. Bonds1

About N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine

N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine (PubChem CID 144677811) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine
PubChem CID144677811
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC NameN-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine
SMILESC=c1cc(C(F)(F)F)cn/c1=C(C)/N=C/C
InChIInChI=1S/C11H11F3N2/c1-4-15-8(3)10-7(2)5-9(6-16-10)11(12,13)14/h4-6H,2H2,1,3H3/b10-8+,15-4+
InChIKeyWOFLKHYPZVSJLK-QQCXGBIESA-N
XLogP1.73
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71079932
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CID 89210806
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
(E)-N-[3-(ethenyliminomethyl)buta-1,3-dien-2-yl]-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123431326
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine?
The IUPAC name of N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine (CID 144677811) is N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine.
What is the SMILES notation for N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine?
The canonical SMILES for N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine is C=c1cc(C(F)(F)F)cn/c1=C(C)/N=C/C.
What is the InChIKey of N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine?
The InChIKey is WOFLKHYPZVSJLK-QQCXGBIESA-N. The full InChI is InChI=1S/C11H11F3N2/c1-4-15-8(3)10-7(2)5-9(6-16-10)11(12,13)14/h4-6H,2H2,1,3H3/b10-8+,15-4+.
What are the key properties of N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine?
N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine has a molecular weight of 228.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine is sourced from PubChem (CID 144677811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).