N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide

C10H9F3IN — CID 14930845

IUPACN-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide
SMILESCCc1ccccc1/N=C(\I)C(F)(F)F
InChIInChI=1S/C10H9F3IN/c1-2-7-5-3-4-6-8(7)15-9(14)10(11,12)13/h3-6H,2H2,1H3/b15-9-
InChIKeyCMAKQHKPCUXWNE-DHDCSXOGSA-N
MW327.09 g/mol
LogP4.28
Rot. Bonds2

About N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide

N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide (PubChem CID 14930845) has the molecular formula C10H9F3IN and a molecular weight of 327.09 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide
PubChem CID14930845
Molecular FormulaC10H9F3IN
Molecular Weight327.09 g/mol
Exact Mass326.97
IUPAC NameN-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide
SMILESCCc1ccccc1/N=C(\I)C(F)(F)F
InChIInChI=1S/C10H9F3IN/c1-2-7-5-3-4-6-8(7)15-9(14)10(11,12)13/h3-6H,2H2,1H3/b15-9-
InChIKeyCMAKQHKPCUXWNE-DHDCSXOGSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.09
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethylphenyl)butanimidamide
CID 63178290
4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
CID 121403211
2-(2-ethylphenyl)iminopentanedioate
CID 8008003
5-chloro-2-N,3-N-bis(2-ethylphenyl)pentane-2,3-diimine
CID 87163235
cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide
CID 175255082
N-[2-(bromomethyl)phenyl]-2,2,2-trifluoroethanimidoyl chloride
CID 53437556
1-ethyl-2-isocyanatobenzene
CID 583486
diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane
CID 163908315
N'-(2-ethylphenyl)-N-phenylprop-2-enimidamide
CID 70178542
1,2-diethylbenzene;hydrobromide
CID 174973685
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
CID 83824014

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide?
The IUPAC name of N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide (CID 14930845) is N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide.
What is the SMILES notation for N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide?
The canonical SMILES for N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide is CCc1ccccc1/N=C(\I)C(F)(F)F.
What is the InChIKey of N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide?
The InChIKey is CMAKQHKPCUXWNE-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H9F3IN/c1-2-7-5-3-4-6-8(7)15-9(14)10(11,12)13/h3-6H,2H2,1H3/b15-9-.
What are the key properties of N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide?
N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide has a molecular weight of 327.09 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide is sourced from PubChem (CID 14930845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).