N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide

C12H13FN2 — CID 126700818

IUPACN'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide
SMILESC=C/N=C(\N)c1ccc(C(=C)C)cc1F
InChIInChI=1S/C12H13FN2/c1-4-15-12(14)10-6-5-9(8(2)3)7-11(10)13/h4-7H,1-2H2,3H3,(H2,14,15)
InChIKeyHOARIQWIJPXUTP-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.71
Rot. Bonds3

About N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide

N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide (PubChem CID 126700818) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide
PubChem CID126700818
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC NameN'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide
SMILESC=C/N=C(\N)c1ccc(C(=C)C)cc1F
InChIInChI=1S/C12H13FN2/c1-4-15-12(14)10-6-5-9(8(2)3)7-11(10)13/h4-7H,1-2H2,3H3,(H2,14,15)
InChIKeyHOARIQWIJPXUTP-UHFFFAOYSA-N
XLogP2.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.71
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

(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine
CID 144510349
N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide
CID 59058990
1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine
CID 126701033
2-fluoro-4-prop-1-en-2-ylbenzaldehyde
CID 88914678
methyl 2-fluoro-4-prop-1-en-2-ylbenzoate
CID 171572331
(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine
CID 90415150
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide
CID 88963468
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
methyl 3-fluoro-4-prop-1-en-2-ylbenzoate
CID 118196123
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine
CID 142896113

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide?
The IUPAC name of N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide (CID 126700818) is N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide is C=C/N=C(\N)c1ccc(C(=C)C)cc1F.
What is the InChIKey of N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide?
The InChIKey is HOARIQWIJPXUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-4-15-12(14)10-6-5-9(8(2)3)7-11(10)13/h4-7H,1-2H2,3H3,(H2,14,15).
What are the key properties of N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide?
N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide has a molecular weight of 204.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide is sourced from PubChem (CID 126700818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).