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

C5H5F2N — CID 145347445

IUPAC(Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine
SMILESC=C(F)/C=N\C(=C)F
InChIInChI=1S/C5H5F2N/c1-4(6)3-8-5(2)7/h3H,1-2H2/b8-3-
InChIKeyNRRKXUUFODOMFJ-BAQGIRSFSA-N
MW117.10 g/mol
LogP1.98
Rot. Bonds2

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

(Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine (PubChem CID 145347445) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine
PubChem CID145347445
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine
SMILESC=C(F)/C=N\C(=C)F
InChIInChI=1S/C5H5F2N/c1-4(6)3-8-5(2)7/h3H,1-2H2/b8-3-
InChIKeyNRRKXUUFODOMFJ-BAQGIRSFSA-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-fluoroethenyl)prop-2-en-1-imine
CID 91365283
N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine
CID 123141561
2-fluoro-N-methylprop-2-en-1-imine
CID 123271021
2-fluoro-N-(2-fluoroethenyl)prop-2-en-1-imine
CID 123582355
N-ethenyl-2-fluoroprop-2-en-1-imine
CID 123893750
N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
CID 123995680
(Z)-N-(1-fluoroethenyl)prop-2-en-1-imine
CID 144307296
(Z)-N-(1-bromoethenyl)-2-fluoroprop-2-en-1-imine
CID 144831562
(Z)-N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
CID 145189680

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine?
The IUPAC name of (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine (CID 145347445) is (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine?
The canonical SMILES for (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine is C=C(F)/C=N\C(=C)F.
What is the InChIKey of (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine?
The InChIKey is NRRKXUUFODOMFJ-BAQGIRSFSA-N. The full InChI is InChI=1S/C5H5F2N/c1-4(6)3-8-5(2)7/h3H,1-2H2/b8-3-.
What are the key properties of (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine?
(Z)-2-fluoro-N-(1-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 (Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine is sourced from PubChem (CID 145347445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).