N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine

C5H7FN2 — CID 123586364

IUPACN'-ethylidene-2-fluoroprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C/N=C/C
InChIInChI=1S/C5H7FN2/c1-2-8-4-5(6)3-7/h2-4,7H,1H3/b5-4?,7-3+,8-2+
InChIKeyVLVJVOFBGPQJMK-BQDBOPBISA-N
MW114.12 g/mol
LogP1.54
Rot. Bonds2

About N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine

N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine (PubChem CID 123586364) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine.

Molecular Properties

Compound NameN'-ethylidene-2-fluoroprop-2-ene-1,3-diimine
PubChem CID123586364
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC NameN'-ethylidene-2-fluoroprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C/N=C/C
InChIInChI=1S/C5H7FN2/c1-2-8-4-5(6)3-7/h2-4,7H,1H3/b5-4?,7-3+,8-2+
InChIKeyVLVJVOFBGPQJMK-BQDBOPBISA-N
XLogP1.54
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-methyliminoprop-1-en-1-amine
CID 87688897
2-fluoro-N'-propylideneprop-2-ene-1,3-diimine
CID 123333938
(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine
CID 126747074
N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine
CID 146392806
(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine
CID 146594000
2-Fluoro-3-methyliminoprop-1-en-1-amine
CID 147359228
1-[(Z)-2-fluoroprop-2-enylideneamino]ethenamine
CID 156652984
(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine
CID 163663920
(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine
CID 163721266
(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
CID 166751069
N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethane-1,2-diimine
CID 167231672
(E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
CID 167260520

Frequently Asked Questions

What is the IUPAC name of N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine?
The IUPAC name of N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine (CID 123586364) is N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine.
What is the SMILES notation for N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine?
The canonical SMILES for N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine is [H]/N=C/C(F)=C/N=C/C.
What is the InChIKey of N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine?
The InChIKey is VLVJVOFBGPQJMK-BQDBOPBISA-N. The full InChI is InChI=1S/C5H7FN2/c1-2-8-4-5(6)3-7/h2-4,7H,1H3/b5-4?,7-3+,8-2+.
What are the key properties of N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine?
N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine has a molecular weight of 114.12 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine is sourced from PubChem (CID 123586364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).