2,4,6-trifluorobenzene-1,3,5-tricarbonitrile

C9F3N3 — CID 12745042

IUPAC2,4,6-trifluorobenzene-1,3,5-tricarbonitrile
SMILESN#Cc1c(F)c(C#N)c(F)c(C#N)c1F
InChIInChI=1S/C9F3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14
InChIKeyLWTFYBZNGZGGRD-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.72
Rot. Bonds

About 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile

2,4,6-trifluorobenzene-1,3,5-tricarbonitrile (PubChem CID 12745042) has the molecular formula C9F3N3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2,4,6-trifluorobenzene-1,3,5-tricarbonitrile
PubChem CID12745042
Molecular FormulaC9F3N3
Molecular Weight207.11 g/mol
Exact Mass207.00
IUPAC Name2,4,6-trifluorobenzene-1,3,5-tricarbonitrile
SMILESN#Cc1c(F)c(C#N)c(F)c(C#N)c1F
InChIInChI=1S/C9F3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14
InChIKeyLWTFYBZNGZGGRD-UHFFFAOYSA-N
XLogP1.72
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile;2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile
CID 87620295
2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile
CID 167515087
3-chloro-2,4,5,6-tetrafluorobenzonitrile
CID 11615422
2,3,5,6-tetrafluoro-4-formylbenzonitrile
CID 131607107
1,4,6,9-tetrafluorothianthrene-2,3,7,8-tetracarbonitrile
CID 11610768
3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 102071858
6,7,16,17,26,27-hexafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene-5,8,15,18,25,28-hexacarbonitrile
CID 166870582
2-chloro-3,4,5,6-tetrafluorobenzonitrile
CID 25067355
4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile
CID 59575031
3,6-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]-2,5-difluorocyclohexa-1,4-diene-1,4-dicarbonitrile
CID 90738465
3,6-difluoro-4,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile
CID 11420635
3,6-dibromo-2-fluorobenzonitrile
CID 50997948

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile?
The IUPAC name of 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile (CID 12745042) is 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile is N#Cc1c(F)c(C#N)c(F)c(C#N)c1F.
What is the InChIKey of 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile?
The InChIKey is LWTFYBZNGZGGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14.
What are the key properties of 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile?
2,4,6-trifluorobenzene-1,3,5-tricarbonitrile has a molecular weight of 207.11 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluorobenzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 12745042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).