2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide

C12H7F3IN — CID 139894364

IUPAC2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide
SMILESFC(F)(F)/C(I)=N/c1cccc2ccccc12
InChIInChI=1S/C12H7F3IN/c13-12(14,15)11(16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/b17-11-
InChIKeyNHQJOGXVTFOTCX-BOPFTXTBSA-N
MW349.09 g/mol
LogP4.87
Rot. Bonds1

About 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide

2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide (PubChem CID 139894364) has the molecular formula C12H7F3IN and a molecular weight of 349.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide
PubChem CID139894364
Molecular FormulaC12H7F3IN
Molecular Weight349.09 g/mol
Exact Mass348.96
IUPAC Name2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide
SMILESFC(F)(F)/C(I)=N/c1cccc2ccccc12
InChIInChI=1S/C12H7F3IN/c13-12(14,15)11(16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/b17-11-
InChIKeyNHQJOGXVTFOTCX-BOPFTXTBSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.09
LogP ≤ 54.87
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)-2,2,2-trifluoroethanimidoyl iodide
CID 14930845
2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride
CID 122233527
N'-naphthalen-1-yl-2-sulfanylethanimidamide
CID 90668652
N-naphthalen-1-ylpropanimidoyl chloride
CID 134896814
CID 175078571
CID 175078571
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
2,2,2-trifluoro-1-naphthalen-1-ylethanethione
CID 23496318
1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 18752006
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751670
N'-naphthalen-1-ylcyclopentanecarboximidamide
CID 63173973

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide?
The IUPAC name of 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide (CID 139894364) is 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide.
What is the SMILES notation for 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide?
The canonical SMILES for 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide is FC(F)(F)/C(I)=N/c1cccc2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide?
The InChIKey is NHQJOGXVTFOTCX-BOPFTXTBSA-N. The full InChI is InChI=1S/C12H7F3IN/c13-12(14,15)11(16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/b17-11-.
What are the key properties of 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide?
2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide has a molecular weight of 349.09 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide is sourced from PubChem (CID 139894364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).