bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))

C16H8Cr2F2N2O7 — CID 173117282

IUPACbis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
SMILESN#Cc1cc(C(=O)O)ccc1F.N#Cc1cc(C(=O)O)ccc1F.[Cr+3].[Cr+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2C8H4FNO2.2Cr.3O/c2*9-7-2-1-5(8(11)12)3-6(7)4-10;;;;;/h2*1-3H,(H,11,12);;;;;/q;;2*+3;3*-2
InChIKeyQUVOHYLOENQIRJ-UHFFFAOYSA-N
MW482.24 g/mol
LogP2.43
Rot. Bonds2

About bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))

bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-)) (PubChem CID 173117282) has the molecular formula C16H8Cr2F2N2O7 and a molecular weight of 482.24 g/mol. Its IUPAC name is bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-)).

Molecular Properties

Compound Namebis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
PubChem CID173117282
Molecular FormulaC16H8Cr2F2N2O7
Molecular Weight482.24 g/mol
Exact Mass481.91
IUPAC Namebis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
SMILESN#Cc1cc(C(=O)O)ccc1F.N#Cc1cc(C(=O)O)ccc1F.[Cr+3].[Cr+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2C8H4FNO2.2Cr.3O/c2*9-7-2-1-5(8(11)12)3-6(7)4-10;;;;;/h2*1-3H,(H,11,12);;;;;/q;;2*+3;3*-2
InChIKeyQUVOHYLOENQIRJ-UHFFFAOYSA-N
XLogP2.43
TPSA207.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-4-fluorobenzamide
CID 68505906
3-cyano-4-fluorobenzohydrazide
CID 59234832
3-cyano-4-methylbenzoic acid
CID 10012188
3-cyano-4,5-difluorobenzoic acid
CID 105440371
5-(3-chloro-2,2-dimethylpropanoyl)-2-fluorobenzonitrile
CID 130136908
5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
CID 146010108
4-(3-cyano-4-fluorophenyl)-3-methyl-4-oxobutanoic acid
CID 107936552
1-(3-cyano-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 62315454
4-cyano-3-(trifluoromethyl)benzoic acid
CID 91882481
5-(3-cyanobutanoyl)-2-fluorobenzonitrile
CID 107936487
3-(3-cyano-4-fluorophenyl)prop-2-enoic acid
CID 53401702
3-cyano-4-(methylamino)benzoic acid
CID 131012409

Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))?
The IUPAC name of bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-)) (CID 173117282) is bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-)).
What is the SMILES notation for bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))?
The canonical SMILES for bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-)) is N#Cc1cc(C(=O)O)ccc1F.N#Cc1cc(C(=O)O)ccc1F.[Cr+3].[Cr+3].[O-2].[O-2].[O-2].
What is the InChIKey of bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))?
The InChIKey is QUVOHYLOENQIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H4FNO2.2Cr.3O/c2*9-7-2-1-5(8(11)12)3-6(7)4-10;;;;;/h2*1-3H,(H,11,12);;;;;/q;;2*+3;3*-2.
What are the key properties of bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))?
bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-)) has a molecular weight of 482.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-)) is sourced from PubChem (CID 173117282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).