2-[(2-fluorophenyl)methylamino]acetyl iodide

C9H9FINO — CID 122663057

IUPAC2-[(2-fluorophenyl)methylamino]acetyl iodide
SMILESO=C(I)CNCc1ccccc1F
InChIInChI=1S/C9H9FINO/c10-8-4-2-1-3-7(8)5-12-6-9(11)13/h1-4,12H,5-6H2
InChIKeyQYOLSOQCZJGEKV-UHFFFAOYSA-N
MW293.08 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2-fluorophenyl)methylamino]acetyl iodide

2-[(2-fluorophenyl)methylamino]acetyl iodide (PubChem CID 122663057) has the molecular formula C9H9FINO and a molecular weight of 293.08 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]acetyl iodide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]acetyl iodide
PubChem CID122663057
Molecular FormulaC9H9FINO
Molecular Weight293.08 g/mol
Exact Mass292.97
IUPAC Name2-[(2-fluorophenyl)methylamino]acetyl iodide
SMILESO=C(I)CNCc1ccccc1F
InChIInChI=1S/C9H9FINO/c10-8-4-2-1-3-7(8)5-12-6-9(11)13/h1-4,12H,5-6H2
InChIKeyQYOLSOQCZJGEKV-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108997575
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]acetyl iodide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]acetyl iodide (CID 122663057) is 2-[(2-fluorophenyl)methylamino]acetyl iodide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]acetyl iodide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]acetyl iodide is O=C(I)CNCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]acetyl iodide?
The InChIKey is QYOLSOQCZJGEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FINO/c10-8-4-2-1-3-7(8)5-12-6-9(11)13/h1-4,12H,5-6H2.
What are the key properties of 2-[(2-fluorophenyl)methylamino]acetyl iodide?
2-[(2-fluorophenyl)methylamino]acetyl iodide has a molecular weight of 293.08 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]acetyl iodide is sourced from PubChem (CID 122663057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).