2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide

C10H9F3INO — CID 21035206

IUPAC2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C10H9F3INO/c1-6(15-9(16)10(11,12)13)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,15,16)
InChIKeyHFPLOJKMTNAYBB-UHFFFAOYSA-N
MW343.09 g/mol
LogP3.03
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide (PubChem CID 21035206) has the molecular formula C10H9F3INO and a molecular weight of 343.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
PubChem CID21035206
Molecular FormulaC10H9F3INO
Molecular Weight343.09 g/mol
Exact Mass342.97
IUPAC Name2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C10H9F3INO/c1-6(15-9(16)10(11,12)13)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,15,16)
InChIKeyHFPLOJKMTNAYBB-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.09
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
N-[(1S)-1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651376
N-[1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21035256
2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide
CID 174941765
2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide
CID 135125596
N-[(1S)-1-[4-(4-cyclopropylphenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651389
methyl 2-[1-(4-iodophenyl)ethylamino]-2-methylpropanoate
CID 43787152
2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide
CID 118337236
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide (CID 21035206) is 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide is CC(NC(=O)C(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide?
The InChIKey is HFPLOJKMTNAYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO/c1-6(15-9(16)10(11,12)13)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide has a molecular weight of 343.09 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide is sourced from PubChem (CID 21035206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).