9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile

C20H4F6N4O2 — CID 146535611

IUPAC9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile
SMILESN#CC(C#N)=C1c2cc(C#N)c(OC(F)(F)F)cc2-c2cc(OC(F)(F)F)c(C#N)cc21
InChIInChI=1S/C20H4F6N4O2/c21-19(22,23)31-16-3-12-13-4-17(32-20(24,25)26)10(6-28)2-15(13)18(11(7-29)8-30)14(12)1-9(16)5-27/h1-4H
InChIKeyAMCXJVSZLRQBPD-UHFFFAOYSA-N
MW446.27 g/mol
LogP5.06
Rot. Bonds2

About 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile

9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile (PubChem CID 146535611) has the molecular formula C20H4F6N4O2 and a molecular weight of 446.27 g/mol. Its IUPAC name is 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile
PubChem CID146535611
Molecular FormulaC20H4F6N4O2
Molecular Weight446.27 g/mol
Exact Mass446.02
IUPAC Name9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile
SMILESN#CC(C#N)=C1c2cc(C#N)c(OC(F)(F)F)cc2-c2cc(OC(F)(F)F)c(C#N)cc21
InChIInChI=1S/C20H4F6N4O2/c21-19(22,23)31-16-3-12-13-4-17(32-20(24,25)26)10(6-28)2-15(13)18(11(7-29)8-30)14(12)1-9(16)5-27/h1-4H
InChIKeyAMCXJVSZLRQBPD-UHFFFAOYSA-N
XLogP5.06
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.27
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[3,6-bis(4-cyano-3-fluorophenyl)-2,7-bis(trifluoromethoxy)fluoren-9-ylidene]propanedinitrile
CID 146535483
9-(dicyanomethylidene)-3,6-bis[4-(trifluoromethoxy)phenyl]fluorene-2,7-dicarbonitrile
CID 154028905
2-[2,7-bis(trifluoromethoxy)-3,6-bis(2,4,6-trifluorophenyl)fluoren-9-ylidene]propanedinitrile
CID 166814027
2-[1,6-bis[4-cyano-3-(trifluoromethoxy)phenyl]-10-(dicyanomethylidene)indeno[2,1-a]inden-5-ylidene]propanedinitrile
CID 155003090
2-[3-cyano-4-(trifluoromethoxy)phenyl]-3,7-bis(dicyanomethylidene)-6-(3,4-dicyanophenyl)-s-indacene-1,5-dicarbonitrile
CID 167125556
2-[3,6-bis[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,7-bis(trifluoromethoxy)fluoren-9-ylidene]propanedinitrile
CID 146535635
3,5-bis(dicyanomethylidene)-2,6-bis(trifluoromethoxy)-s-indacene-1,7-dicarbonitrile
CID 129206093
2-[3-cyano-4-(trifluoromethoxy)phenyl]-6-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-bis(dicyanomethylidene)-s-indacene-1,7-dicarbonitrile
CID 167122080
2-[3-cyano-4-(trifluoromethoxy)phenyl]-6-[4-cyano-3-(trifluoromethyl)phenyl]-3,7-bis(dicyanomethylidene)-s-indacene-1,5-dicarbonitrile
CID 167122131
2-[3,6-bis[3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]-2,7-bis(trifluoromethoxy)fluoren-9-ylidene]propanedinitrile
CID 166813981
2-[3,5-bis(trifluoromethyl)phenyl]-6-[3-cyano-4-(trifluoromethoxy)phenyl]-3,5-bis(dicyanomethylidene)-s-indacene-1,7-dicarbonitrile
CID 167122079
2-[4-cyano-2-sulfanyl-5-(trifluoromethoxy)phenyl]acetic acid
CID 118816556

Frequently Asked Questions

What is the IUPAC name of 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile?
The IUPAC name of 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile (CID 146535611) is 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile.
What is the SMILES notation for 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile?
The canonical SMILES for 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile is N#CC(C#N)=C1c2cc(C#N)c(OC(F)(F)F)cc2-c2cc(OC(F)(F)F)c(C#N)cc21.
What is the InChIKey of 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile?
The InChIKey is AMCXJVSZLRQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H4F6N4O2/c21-19(22,23)31-16-3-12-13-4-17(32-20(24,25)26)10(6-28)2-15(13)18(11(7-29)8-30)14(12)1-9(16)5-27/h1-4H.
What are the key properties of 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile?
9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile has a molecular weight of 446.27 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile is sourced from PubChem (CID 146535611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).