N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide

C9H17F2N3 — CID 142092315

IUPACN'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide
SMILESC/C(N)=N\CC/C(F)=C(\F)CC(C)N
InChIInChI=1S/C9H17F2N3/c1-6(12)5-9(11)8(10)3-4-14-7(2)13/h6H,3-5,12H2,1-2H3,(H2,13,14)/b9-8+
InChIKeyXXWKDEHDLHEBMT-CMDGGOBGSA-N
MW205.25 g/mol
LogP1.64
Rot. Bonds5

About N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide

N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide (PubChem CID 142092315) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide
PubChem CID142092315
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC NameN'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide
SMILESC/C(N)=N\CC/C(F)=C(\F)CC(C)N
InChIInChI=1S/C9H17F2N3/c1-6(12)5-9(11)8(10)3-4-14-7(2)13/h6H,3-5,12H2,1-2H3,(H2,13,14)/b9-8+
InChIKeyXXWKDEHDLHEBMT-CMDGGOBGSA-N
XLogP1.64
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide (CID 142092315) is N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide is C/C(N)=N\CC/C(F)=C(\F)CC(C)N.
What is the InChIKey of N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide?
The InChIKey is XXWKDEHDLHEBMT-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H17F2N3/c1-6(12)5-9(11)8(10)3-4-14-7(2)13/h6H,3-5,12H2,1-2H3,(H2,13,14)/b9-8+.
What are the key properties of N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide?
N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide has a molecular weight of 205.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide is sourced from PubChem (CID 142092315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).