N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine

C10H14F2N4 — CID 166966228

IUPACN-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine
SMILESC/C=N/C(=C\CCC(F)F)c1cn(C)nn1
InChIInChI=1S/C10H14F2N4/c1-3-13-8(5-4-6-10(11)12)9-7-16(2)15-14-9/h3,5,7,10H,4,6H2,1-2H3/b8-5-,13-3+
InChIKeyFPHCOALJTNAAFC-IQTRCOIWSA-N
MW228.25 g/mol
LogP2.29
Rot. Bonds5

About N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine

N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine (PubChem CID 166966228) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine
PubChem CID166966228
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine
SMILESC/C=N/C(=C\CCC(F)F)c1cn(C)nn1
InChIInChI=1S/C10H14F2N4/c1-3-13-8(5-4-6-10(11)12)9-7-16(2)15-14-9/h3,5,7,10H,4,6H2,1-2H3/b8-5-,13-3+
InChIKeyFPHCOALJTNAAFC-IQTRCOIWSA-N
XLogP2.29
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3E,5E)-6-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltriazole
CID 129203743
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-3-yl]-1-methyltriazole
CID 166900186
4-[(Z)-2-methylsulfanylprop-1-enyl]-1-(trifluoromethyl)triazole
CID 101552150
iridium;2-(1-methyltriazol-4-yl)-3H-pyridin-3-ide
CID 57746171
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methyltriazole
CID 118390954
1-methyl-4-[(E)-prop-1-enyl]triazole
CID 134458623
(E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine
CID 143917790
4-[(E)-3,3-dimethylbut-1-enyl]-1-methyltriazole
CID 146178460
ethane;(Z)-2-methyl-N-[(Z)-1-(1-methyltriazol-4-yl)prop-1-enyl]but-2-en-1-imine
CID 168262382
ethane;7-methyl-5-(1-methyltriazol-4-yl)-3H-azepine
CID 168263413
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-4-yl]triazole
CID 170225061
1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]triazole
CID 175626081

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine (CID 166966228) is N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine is C/C=N/C(=C\CCC(F)F)c1cn(C)nn1.
What is the InChIKey of N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine?
The InChIKey is FPHCOALJTNAAFC-IQTRCOIWSA-N. The full InChI is InChI=1S/C10H14F2N4/c1-3-13-8(5-4-6-10(11)12)9-7-16(2)15-14-9/h3,5,7,10H,4,6H2,1-2H3/b8-5-,13-3+.
What are the key properties of N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine?
N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine has a molecular weight of 228.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine is sourced from PubChem (CID 166966228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).