2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide

C9H7F3INO2 — CID 15953168

IUPAC2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
SMILESO=C(Nc1ccc(CO)cc1I)C(F)(F)F
InChIInChI=1S/C9H7F3INO2/c10-9(11,12)8(16)14-7-2-1-5(4-15)3-6(7)13/h1-3,15H,4H2,(H,14,16)
InChIKeyFWVANFIVSLWMPM-UHFFFAOYSA-N
MW345.06 g/mol
LogP2.28
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide

2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide (PubChem CID 15953168) has the molecular formula C9H7F3INO2 and a molecular weight of 345.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
PubChem CID15953168
Molecular FormulaC9H7F3INO2
Molecular Weight345.06 g/mol
Exact Mass344.95
IUPAC Name2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
SMILESO=C(Nc1ccc(CO)cc1I)C(F)(F)F
InChIInChI=1S/C9H7F3INO2/c10-9(11,12)8(16)14-7-2-1-5(4-15)3-6(7)13/h1-3,15H,4H2,(H,14,16)
InChIKeyFWVANFIVSLWMPM-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.06
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide
CID 24795536
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide
CID 88881817
5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 171920509
N-[2-amino-4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
CID 143862518
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
methyl 4-iodo-3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 11845889
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
CID 532037
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
N-[4-(2-chloroethyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82260559

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide (CID 15953168) is 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide is O=C(Nc1ccc(CO)cc1I)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide?
The InChIKey is FWVANFIVSLWMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO2/c10-9(11,12)8(16)14-7-2-1-5(4-15)3-6(7)13/h1-3,15H,4H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide?
2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide has a molecular weight of 345.06 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide is sourced from PubChem (CID 15953168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).