(2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile

C16H10F2N2 — CID 58058859

IUPAC(2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile
SMILESC/C(C#N)=c1\ccc2c(F)/c(=C(\C)C#N)ccc2c1F
InChIInChI=1S/C16H10F2N2/c1-9(7-19)11-3-5-14-13(15(11)17)6-4-12(16(14)18)10(2)8-20/h3-6H,1-2H3/b11-9-,12-10+
InChIKeyUKLOLYJVGFODGE-DSOJMZEYSA-N
MW268.27 g/mol
LogP2.51
Rot. Bonds

About (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile

(2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile (PubChem CID 58058859) has the molecular formula C16H10F2N2 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile.

Molecular Properties

Compound Name(2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile
PubChem CID58058859
Molecular FormulaC16H10F2N2
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile
SMILESC/C(C#N)=c1\ccc2c(F)/c(=C(\C)C#N)ccc2c1F
InChIInChI=1S/C16H10F2N2/c1-9(7-19)11-3-5-14-13(15(11)17)6-4-12(16(14)18)10(2)8-20/h3-6H,1-2H3/b11-9-,12-10+
InChIKeyUKLOLYJVGFODGE-DSOJMZEYSA-N
XLogP2.51
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
CID 59422633
2-[6-(1-Cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
CID 72279873
2-(1,3,4,5,6,6-Hexafluoronaphthalen-2-ylidene)propanedinitrile
CID 87278518
2-[4-(1-Cyanoethylidene)-2,3,5-trifluoro-6-prop-2-enylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 90851266
2-[(6E)-6-(1-cyanoethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile
CID 122595035
2-[6-(Dicyanomethylidene)-1,4,5,7,8-pentafluoronaphthalen-2-ylidene]propanedinitrile
CID 129236732
2-[(6Z)-6-(1-cyanoethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile
CID 132174228
(2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
CID 134385988
(3E,7E,11Z)-3,7-difluoro-13-methyl-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraenenitrile
CID 138510814
2-[6-(Dicyanomethylidene)-3,4,5,7,8-pentafluoronaphthalen-2-ylidene]propanedinitrile
CID 148256480
2-[6-(1-Cyanoethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanenitrile
CID 153968438
2-[6-(Dicyanomethylidene)-1,3,5,7,8-pentafluoronaphthalen-2-ylidene]propanedinitrile
CID 154967323

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile?
The IUPAC name of (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile (CID 58058859) is (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile.
What is the SMILES notation for (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile?
The canonical SMILES for (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile is C/C(C#N)=c1\ccc2c(F)/c(=C(\C)C#N)ccc2c1F.
What is the InChIKey of (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile?
The InChIKey is UKLOLYJVGFODGE-DSOJMZEYSA-N. The full InChI is InChI=1S/C16H10F2N2/c1-9(7-19)11-3-5-14-13(15(11)17)6-4-12(16(14)18)10(2)8-20/h3-6H,1-2H3/b11-9-,12-10+.
What are the key properties of (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile?
(2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile has a molecular weight of 268.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]propanenitrile is sourced from PubChem (CID 58058859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).