2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine

C5H5F2N — CID 123582355

IUPAC2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine
SMILESC=C(F)/C=N/C=CF
InChIInChI=1S/C5H5F2N/c1-5(7)4-8-3-2-6/h2-4H,1H2/b3-2?,8-4+
InChIKeyNCNRJDZWMDETRS-QQPRKFKGSA-N
MW117.10 g/mol
LogP1.98
Rot. Bonds2

About 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine

2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine (PubChem CID 123582355) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine
PubChem CID123582355
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine
SMILESC=C(F)/C=N/C=CF
InChIInChI=1S/C5H5F2N/c1-5(7)4-8-3-2-6/h2-4H,1H2/b3-2?,8-4+
InChIKeyNCNRJDZWMDETRS-QQPRKFKGSA-N
XLogP1.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine?
The IUPAC name of 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine (CID 123582355) is 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine.
What is the SMILES notation for 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine?
The canonical SMILES for 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine is C=C(F)/C=N/C=CF.
What is the InChIKey of 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine?
The InChIKey is NCNRJDZWMDETRS-QQPRKFKGSA-N. The full InChI is InChI=1S/C5H5F2N/c1-5(7)4-8-3-2-6/h2-4H,1H2/b3-2?,8-4+.
What are the key properties of 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine?
2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine has a molecular weight of 117.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine is sourced from PubChem (CID 123582355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).