(E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile

C6H2F2N2O — CID 118250533

IUPAC(E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile
SMILESN#C/C(=C\F)O/C(C#N)=C/F
InChIInChI=1S/C6H2F2N2O/c7-1-5(3-9)11-6(2-8)4-10/h1-2H/b5-1+,6-2+
InChIKeyCDAOAMICWCTSNO-IJIVKGSJSA-N
MW156.09 g/mol
LogP1.67
Rot. Bonds2

About (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile

(E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile (PubChem CID 118250533) has the molecular formula C6H2F2N2O and a molecular weight of 156.09 g/mol. Its IUPAC name is (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile
PubChem CID118250533
Molecular FormulaC6H2F2N2O
Molecular Weight156.09 g/mol
Exact Mass156.01
IUPAC Name(E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile
SMILESN#C/C(=C\F)O/C(C#N)=C/F
InChIInChI=1S/C6H2F2N2O/c7-1-5(3-9)11-6(2-8)4-10/h1-2H/b5-1+,6-2+
InChIKeyCDAOAMICWCTSNO-IJIVKGSJSA-N
XLogP1.67
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N'-fluoromethanimidamide
CID 23233998
2-ethoxybut-2-enenitrile
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2-methoxy-4-methylpenta-2,4-dienenitrile
CID 54546329
1,1,2-trifluoroethene;hydrate;hydrochloride
CID 172684110
(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile
CID 101092842
3-cyano-3-ethoxyprop-2-enoic acid
CID 86138511
2-[(4-bromophenyl)sulfanylmethylidene]butanenitrile
CID 139616155
2-chloro-3-sulfanylprop-2-enenitrile
CID 173353373
2-(ethoxymethylidene)butanenitrile
CID 54138132
2-(hydroxymethylidene)propanedinitrile
CID 11105312
(2E,4E)-5-fluoro-2-methylhepta-2,4-dienenitrile
CID 176963287
(Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile
CID 146499045

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile?
The IUPAC name of (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile (CID 118250533) is (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile.
What is the SMILES notation for (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile?
The canonical SMILES for (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile is N#C/C(=C\F)O/C(C#N)=C/F.
What is the InChIKey of (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile?
The InChIKey is CDAOAMICWCTSNO-IJIVKGSJSA-N. The full InChI is InChI=1S/C6H2F2N2O/c7-1-5(3-9)11-6(2-8)4-10/h1-2H/b5-1+,6-2+.
What are the key properties of (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile?
(E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile has a molecular weight of 156.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(E)-1-cyano-2-fluoroethenoxy]-3-fluoroprop-2-enenitrile is sourced from PubChem (CID 118250533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).