phenyliodanuidyl 2,2,2-trifluoroacetate

C8H5F3IO2- — CID 58935273

IUPACphenyliodanuidyl 2,2,2-trifluoroacetate
SMILESO=C(O[I-]c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5F3IO2/c9-8(10,11)7(13)14-12-6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyLFPAYZVWFWAJEC-UHFFFAOYSA-N
MW317.02 g/mol
LogP-1.03
Rot. Bonds2

About phenyliodanuidyl 2,2,2-trifluoroacetate

phenyliodanuidyl 2,2,2-trifluoroacetate (PubChem CID 58935273) has the molecular formula C8H5F3IO2- and a molecular weight of 317.02 g/mol. Its IUPAC name is phenyliodanuidyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namephenyliodanuidyl 2,2,2-trifluoroacetate
PubChem CID58935273
Molecular FormulaC8H5F3IO2-
Molecular Weight317.02 g/mol
Exact Mass316.93
IUPAC Namephenyliodanuidyl 2,2,2-trifluoroacetate
SMILESO=C(O[I-]c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5F3IO2/c9-8(10,11)7(13)14-12-6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyLFPAYZVWFWAJEC-UHFFFAOYSA-N
XLogP-1.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-(2,2,2-trifluoroacetyl)oxyiodanuidylphenyl]iodanuidyl 2,2,2-trifluoroacetate
CID 173034917
phenyliodanuidylbenzene;2,2,2-trifluoroacetic acid
CID 161042300
phenylsulfanylmethyl 2,2,2-trifluoroacetate
CID 13452215
[oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate
CID 23319454
[iodo-phenyl-(2,2,2-trifluoroacetyl)oxymethyl] 2,2,2-trifluoroacetate
CID 71744238
(2,2-diphenylacetyl) 2,2,2-trifluoroacetate
CID 90806086
[methyl(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate
CID 160746354
[iodo(phenyl)methyl] 2,2,2-trifluoroacetate
CID 69442009
diphenoxymethyl 2,2,2-trifluoroacetate
CID 66798252
[4-(2,2,2-trifluoroacetyl)oxynaphthalen-1-yl] 2,2,2-trifluoroacetate
CID 5201164
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
CID 136723309
CID 136723309

Frequently Asked Questions

What is the IUPAC name of phenyliodanuidyl 2,2,2-trifluoroacetate?
The IUPAC name of phenyliodanuidyl 2,2,2-trifluoroacetate (CID 58935273) is phenyliodanuidyl 2,2,2-trifluoroacetate.
What is the SMILES notation for phenyliodanuidyl 2,2,2-trifluoroacetate?
The canonical SMILES for phenyliodanuidyl 2,2,2-trifluoroacetate is O=C(O[I-]c1ccccc1)C(F)(F)F.
What is the InChIKey of phenyliodanuidyl 2,2,2-trifluoroacetate?
The InChIKey is LFPAYZVWFWAJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3IO2/c9-8(10,11)7(13)14-12-6-4-2-1-3-5-6/h1-5H/q-1.
What are the key properties of phenyliodanuidyl 2,2,2-trifluoroacetate?
phenyliodanuidyl 2,2,2-trifluoroacetate has a molecular weight of 317.02 g/mol, XLogP of -1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyliodanuidyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 58935273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).