ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride

C7H11F2N — CID 162686739

IUPACethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N\C(=C)F.CC
InChIInChI=1S/C5H5F2N.C2H6/c1-3-5(7)8-4(2)6;1-2/h3H,1-2H2;1-2H3/b8-5+;
InChIKeyFEAVHKPUKKFBTQ-HAAWTFQLSA-N
MW147.17 g/mol
LogP3.01
Rot. Bonds2

About ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride

ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride (PubChem CID 162686739) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride.

Molecular Properties

Compound Nameethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride
PubChem CID162686739
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N\C(=C)F.CC
InChIInChI=1S/C5H5F2N.C2H6/c1-3-5(7)8-4(2)6;1-2/h3H,1-2H2;1-2H3/b8-5+;
InChIKeyFEAVHKPUKKFBTQ-HAAWTFQLSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride?
The IUPAC name of ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride (CID 162686739) is ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride.
What is the SMILES notation for ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride?
The canonical SMILES for ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride is C=C/C(F)=N\C(=C)F.CC.
What is the InChIKey of ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride?
The InChIKey is FEAVHKPUKKFBTQ-HAAWTFQLSA-N. The full InChI is InChI=1S/C5H5F2N.C2H6/c1-3-5(7)8-4(2)6;1-2/h3H,1-2H2;1-2H3/b8-5+;.
What are the key properties of ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride?
ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride has a molecular weight of 147.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-N-(1-fluoroethenyl)prop-2-enimidoyl fluoride is sourced from PubChem (CID 162686739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).