2,6-bis(trifluoromethyl)benzoate;copper(1+)

C9H3CuF6O2 — CID 118193497

IUPAC2,6-bis(trifluoromethyl)benzoate;copper(1+)
SMILESO=C([O-])c1c(C(F)(F)F)cccc1C(F)(F)F.[Cu+]
InChIInChI=1S/C9H4F6O2.Cu/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17;/h1-3H,(H,16,17);/q;+1/p-1
InChIKeyZSWPPMTZCZNJJV-UHFFFAOYSA-M
MW320.66 g/mol
LogP2.09
Rot. Bonds1

About 2,6-bis(trifluoromethyl)benzoate;copper(1+)

2,6-bis(trifluoromethyl)benzoate;copper(1+) (PubChem CID 118193497) has the molecular formula C9H3CuF6O2 and a molecular weight of 320.66 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)benzoate;copper(1+).

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)benzoate;copper(1+)
PubChem CID118193497
Molecular FormulaC9H3CuF6O2
Molecular Weight320.66 g/mol
Exact Mass319.93
IUPAC Name2,6-bis(trifluoromethyl)benzoate;copper(1+)
SMILESO=C([O-])c1c(C(F)(F)F)cccc1C(F)(F)F.[Cu+]
InChIInChI=1S/C9H4F6O2.Cu/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17;/h1-3H,(H,16,17);/q;+1/p-1
InChIKeyZSWPPMTZCZNJJV-UHFFFAOYSA-M
XLogP2.09
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-bis(trifluoromethyl)benzoate;copper(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis(trifluoromethyl)benzoate
CID 6927052
potassium 2-(trifluoromethyl)benzoate
CID 162538888
1-[2,6-bis(trifluoromethyl)phenyl]-3-phosphanylpropan-1-one
CID 87923743
2-[[2-carboxylato-6-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzoate
CID 157266168
2,6-bis(trichloromethyl)benzoic acid;2,6-bis(trifluoromethyl)benzoic acid
CID 159936045
2-amino-6-(trifluoromethyl)benzoic acid;trihydrate
CID 44784805
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
CID 158241209
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
methyl 2-nitro-6-(trifluoromethyl)benzoate
CID 46311175
2-hydroxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 141021225

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)benzoate;copper(1+)?
The IUPAC name of 2,6-bis(trifluoromethyl)benzoate;copper(1+) (CID 118193497) is 2,6-bis(trifluoromethyl)benzoate;copper(1+).
What is the SMILES notation for 2,6-bis(trifluoromethyl)benzoate;copper(1+)?
The canonical SMILES for 2,6-bis(trifluoromethyl)benzoate;copper(1+) is O=C([O-])c1c(C(F)(F)F)cccc1C(F)(F)F.[Cu+].
What is the InChIKey of 2,6-bis(trifluoromethyl)benzoate;copper(1+)?
The InChIKey is ZSWPPMTZCZNJJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H4F6O2.Cu/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17;/h1-3H,(H,16,17);/q;+1/p-1.
What are the key properties of 2,6-bis(trifluoromethyl)benzoate;copper(1+)?
2,6-bis(trifluoromethyl)benzoate;copper(1+) has a molecular weight of 320.66 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)benzoate;copper(1+) is sourced from PubChem (CID 118193497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).