(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride

C5H6FIN2 — CID 138494852

IUPAC(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(I)=C(C)\C=N\[H]
InChIInChI=1S/C5H6FIN2/c1-3(2-8)4(7)5(6)9/h2,8-9H,1H3/b4-3+,8-2+,9-5-
InChIKeyPVYZTCSTTQIKGA-GPQKHQFISA-N
MW240.02 g/mol
LogP2.29
Rot. Bonds2

About (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride

(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride (PubChem CID 138494852) has the molecular formula C5H6FIN2 and a molecular weight of 240.02 g/mol. Its IUPAC name is (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
PubChem CID138494852
Molecular FormulaC5H6FIN2
Molecular Weight240.02 g/mol
Exact Mass239.96
IUPAC Name(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(I)=C(C)\C=N\[H]
InChIInChI=1S/C5H6FIN2/c1-3(2-8)4(7)5(6)9/h2,8-9H,1H3/b4-3+,8-2+,9-5-
InChIKeyPVYZTCSTTQIKGA-GPQKHQFISA-N
XLogP2.29
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-imino-3,4-dimethylpent-3-en-2-one
CID 145478376
(Z)-3-chloro-2-fluorobut-2-en-1-imine
CID 130271762
3,4,4-trifluorobut-3-en-2-imine
CID 58488810
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
CID 142449520
(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride
CID 138494785
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235
methanimine;2-methylprop-2-en-1-imine
CID 145055297
magnesium;ethanimidoyl fluoride;hydride
CID 174794498
(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819

Frequently Asked Questions

What is the IUPAC name of (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride?
The IUPAC name of (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride (CID 138494852) is (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride.
What is the SMILES notation for (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride?
The canonical SMILES for (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride is [H]/N=C(F)/C(I)=C(C)\C=N\[H].
What is the InChIKey of (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride?
The InChIKey is PVYZTCSTTQIKGA-GPQKHQFISA-N. The full InChI is InChI=1S/C5H6FIN2/c1-3(2-8)4(7)5(6)9/h2,8-9H,1H3/b4-3+,8-2+,9-5-.
What are the key properties of (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride?
(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride has a molecular weight of 240.02 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 138494852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).