(2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile

C16H7F5N2 — CID 134385988

IUPAC(2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
SMILESC/C(C#N)=c1\ccc2c(F)/c(=C(/C#N)C(F)(F)F)ccc2c1F
InChIInChI=1S/C16H7F5N2/c1-8(6-22)9-2-3-11-10(14(9)17)4-5-12(15(11)18)13(7-23)16(19,20)21/h2-5H,1H3/b9-8-,13-12-
InChIKeyAGEHQEYNAISRLI-OZKAYXIQSA-N
MW322.24 g/mol
LogP3.05
Rot. Bonds

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

(2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile (PubChem CID 134385988) has the molecular formula C16H7F5N2 and a molecular weight of 322.24 g/mol. Its IUPAC name is (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
PubChem CID134385988
Molecular FormulaC16H7F5N2
Molecular Weight322.24 g/mol
Exact Mass322.05
IUPAC Name(2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile
SMILESC/C(C#N)=c1\ccc2c(F)/c(=C(/C#N)C(F)(F)F)ccc2c1F
InChIInChI=1S/C16H7F5N2/c1-8(6-22)9-2-3-11-10(14(9)17)4-5-12(15(11)18)13(7-23)16(19,20)21/h2-5H,1H3/b9-8-,13-12-
InChIKeyAGEHQEYNAISRLI-OZKAYXIQSA-N
XLogP3.05
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
The IUPAC name of (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile (CID 134385988) is (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile is C/C(C#N)=c1\ccc2c(F)/c(=C(/C#N)C(F)(F)F)ccc2c1F.
What is the InChIKey of (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
The InChIKey is AGEHQEYNAISRLI-OZKAYXIQSA-N. The full InChI is InChI=1S/C16H7F5N2/c1-8(6-22)9-2-3-11-10(14(9)17)4-5-12(15(11)18)13(7-23)16(19,20)21/h2-5H,1H3/b9-8-,13-12-.
What are the key properties of (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile?
(2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile has a molecular weight of 322.24 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6Z)-6-(1-cyanoethylidene)-1,5-difluoronaphthalen-2-ylidene]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 134385988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).