(2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile

C16H4F8N2 — CID 59422633

IUPAC(2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
SMILESN#C/C(=c1\ccc2c(F)/c(=C(\C#N)C(F)(F)F)ccc2c1F)C(F)(F)F
InChIInChI=1S/C16H4F8N2/c17-13-7-1-3-9(11(5-25)15(19,20)21)14(18)8(7)2-4-10(13)12(6-26)16(22,23)24/h1-4H/b11-9-,12-10+
InChIKeyHHCYLNZELUTCJE-DSOJMZEYSA-N
MW376.21 g/mol
LogP3.59
Rot. Bonds

About (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile

(2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile (PubChem CID 59422633) has the molecular formula C16H4F8N2 and a molecular weight of 376.21 g/mol. Its IUPAC name is (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
PubChem CID59422633
Molecular FormulaC16H4F8N2
Molecular Weight376.21 g/mol
Exact Mass376.02
IUPAC Name(2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
SMILESN#C/C(=c1\ccc2c(F)/c(=C(\C#N)C(F)(F)F)ccc2c1F)C(F)(F)F
InChIInChI=1S/C16H4F8N2/c17-13-7-1-3-9(11(5-25)15(19,20)21)14(18)8(7)2-4-10(13)12(6-26)16(22,23)24/h1-4H/b11-9-,12-10+
InChIKeyHHCYLNZELUTCJE-DSOJMZEYSA-N
XLogP3.59
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
The IUPAC name of (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile (CID 59422633) is (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile is N#C/C(=c1\ccc2c(F)/c(=C(\C#N)C(F)(F)F)ccc2c1F)C(F)(F)F.
What is the InChIKey of (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
The InChIKey is HHCYLNZELUTCJE-DSOJMZEYSA-N. The full InChI is InChI=1S/C16H4F8N2/c17-13-7-1-3-9(11(5-25)15(19,20)21)14(18)8(7)2-4-10(13)12(6-26)16(22,23)24/h1-4H/b11-9-,12-10+.
What are the key properties of (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
(2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile has a molecular weight of 376.21 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6E)-6-(1-cyano-2,2,2-trifluoroethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 59422633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).