N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride

C8H13FN4 — CID 176545884

IUPACN-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(N)=C(\N=C(C)F)NC=C
InChIInChI=1S/C8H13FN4/c1-4-12-8(13-6(3)9)7(11)5(2)10/h4,10,12H,1,11H2,2-3H3/b8-7+,10-5+,13-6?
InChIKeySVGAFBVJPGNUOK-VIWWYREXSA-N
MW184.22 g/mol
LogP1.27
Rot. Bonds4

About N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride

N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride (PubChem CID 176545884) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride
PubChem CID176545884
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC NameN-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(N)=C(\N=C(C)F)NC=C
InChIInChI=1S/C8H13FN4/c1-4-12-8(13-6(3)9)7(11)5(2)10/h4,10,12H,1,11H2,2-3H3/b8-7+,10-5+,13-6?
InChIKeySVGAFBVJPGNUOK-VIWWYREXSA-N
XLogP1.27
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride?
The IUPAC name of N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride (CID 176545884) is N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride?
The canonical SMILES for N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride is [H]/N=C(C)/C(N)=C(\N=C(C)F)NC=C.
What is the InChIKey of N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride?
The InChIKey is SVGAFBVJPGNUOK-VIWWYREXSA-N. The full InChI is InChI=1S/C8H13FN4/c1-4-12-8(13-6(3)9)7(11)5(2)10/h4,10,12H,1,11H2,2-3H3/b8-7+,10-5+,13-6?.
What are the key properties of N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride?
N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride has a molecular weight of 184.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride is sourced from PubChem (CID 176545884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).