(E)-N'-ethenyl-3-fluorobut-2-enimidamide

C6H9FN2 — CID 142337031

IUPAC(E)-N'-ethenyl-3-fluorobut-2-enimidamide
SMILESC=C/N=C(N)/C=C(\C)F
InChIInChI=1S/C6H9FN2/c1-3-9-6(8)4-5(2)7/h3-4H,1H2,2H3,(H2,8,9)/b5-4+
InChIKeyORRDIOMMXBXGCA-SNAWJCMRSA-N
MW128.15 g/mol
LogP1.36
Rot. Bonds2

About (E)-N'-ethenyl-3-fluorobut-2-enimidamide

(E)-N'-ethenyl-3-fluorobut-2-enimidamide (PubChem CID 142337031) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (E)-N'-ethenyl-3-fluorobut-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-ethenyl-3-fluorobut-2-enimidamide
PubChem CID142337031
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(E)-N'-ethenyl-3-fluorobut-2-enimidamide
SMILESC=C/N=C(N)/C=C(\C)F
InChIInChI=1S/C6H9FN2/c1-3-9-6(8)4-5(2)7/h3-4H,1H2,2H3,(H2,8,9)/b5-4+
InChIKeyORRDIOMMXBXGCA-SNAWJCMRSA-N
XLogP1.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-ethenyliminopent-2-ene-2,3-diamine
CID 152822158
3-ethenylimino-4-fluoropent-4-en-2-amine
CID 170619288
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
CID 142067318
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217
N'-ethenyl-2,2,2-trifluoroethanimidamide
CID 134560294
N'-ethenyl-N-methoxyethanimidamide
CID 91299645
(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
CID 138723097
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
ethane;(3E)-5-fluoro-6-methylhepta-1,3,5-trien-3-amine
CID 145356068

Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethenyl-3-fluorobut-2-enimidamide?
The IUPAC name of (E)-N'-ethenyl-3-fluorobut-2-enimidamide (CID 142337031) is (E)-N'-ethenyl-3-fluorobut-2-enimidamide.
What is the SMILES notation for (E)-N'-ethenyl-3-fluorobut-2-enimidamide?
The canonical SMILES for (E)-N'-ethenyl-3-fluorobut-2-enimidamide is C=C/N=C(N)/C=C(\C)F.
What is the InChIKey of (E)-N'-ethenyl-3-fluorobut-2-enimidamide?
The InChIKey is ORRDIOMMXBXGCA-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H9FN2/c1-3-9-6(8)4-5(2)7/h3-4H,1H2,2H3,(H2,8,9)/b5-4+.
What are the key properties of (E)-N'-ethenyl-3-fluorobut-2-enimidamide?
(E)-N'-ethenyl-3-fluorobut-2-enimidamide has a molecular weight of 128.15 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethenyl-3-fluorobut-2-enimidamide is sourced from PubChem (CID 142337031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).