(E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine

C6H7FN4 — CID 163671729

IUPAC(E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine
SMILES[H]/N=C/C(F)=C(/C)n1ccnn1
InChIInChI=1S/C6H7FN4/c1-5(6(7)4-8)11-3-2-9-10-11/h2-4,8H,1H3/b6-5+,8-4+
InChIKeyJDDFOMYQIQMVDM-PTFSRLPTSA-N
MW154.15 g/mol
LogP1.09
Rot. Bonds2

About (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine

(E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine (PubChem CID 163671729) has the molecular formula C6H7FN4 and a molecular weight of 154.15 g/mol. Its IUPAC name is (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine
PubChem CID163671729
Molecular FormulaC6H7FN4
Molecular Weight154.15 g/mol
Exact Mass154.07
IUPAC Name(E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine
SMILES[H]/N=C/C(F)=C(/C)n1ccnn1
InChIInChI=1S/C6H7FN4/c1-5(6(7)4-8)11-3-2-9-10-11/h2-4,8H,1H3/b6-5+,8-4+
InChIKeyJDDFOMYQIQMVDM-PTFSRLPTSA-N
XLogP1.09
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-chloro-2-fluorobut-2-en-1-imine
CID 130271762
triazole-1-carboximidamide;hydrochloride
CID 18519220
(2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide
CID 146529797
(4-fluoro-5-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 90939039
fluoroform;1-methyltriazole
CID 174723397
N-[(1E,3Z)-1-(triazol-1-yl)penta-1,3-dienyl]butan-2-imine
CID 174116654
2-octyl-1-(triazol-1-yl)dodecan-1-one
CID 19788746
bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate
CID 140986928
(E)-2,3-difluoro-3-(1H-pyrrol-3-yl)prop-2-en-1-imine
CID 136934795
S-[2-(triazol-1-yl)ethyl] ethanethioate
CID 10464755
1,1-difluoro-3-(triazol-1-yl)propan-2-ol
CID 89310252
(1E,3E,5E)-2-methylsulfanyl-5-(triazol-1-yl)-4-(trifluoromethyl)hepta-1,3,5-trien-1-amine
CID 138660935

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine?
The IUPAC name of (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine (CID 163671729) is (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine.
What is the SMILES notation for (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine?
The canonical SMILES for (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine is [H]/N=C/C(F)=C(/C)n1ccnn1.
What is the InChIKey of (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine?
The InChIKey is JDDFOMYQIQMVDM-PTFSRLPTSA-N. The full InChI is InChI=1S/C6H7FN4/c1-5(6(7)4-8)11-3-2-9-10-11/h2-4,8H,1H3/b6-5+,8-4+.
What are the key properties of (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine?
(E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine has a molecular weight of 154.15 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine is sourced from PubChem (CID 163671729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).