1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

C15H10F3IO — CID 114966369

IUPAC1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1ccccc1I
InChIInChI=1S/C15H10F3IO/c16-15(17,18)11-5-3-4-10(8-11)9-14(20)12-6-1-2-7-13(12)19/h1-8H,9H2
InChIKeyBEZBCLCNVUUTQY-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.74
Rot. Bonds3

About 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 114966369) has the molecular formula C15H10F3IO and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID114966369
Molecular FormulaC15H10F3IO
Molecular Weight390.14 g/mol
Exact Mass389.97
IUPAC Name1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1ccccc1I
InChIInChI=1S/C15H10F3IO/c16-15(17,18)11-5-3-4-10(8-11)9-14(20)12-6-1-2-7-13(12)19/h1-8H,9H2
InChIKeyBEZBCLCNVUUTQY-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966373
2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
CID 162047234
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1,2-oxazole-5-carboxamide
CID 152924749
1-(5-bromo-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966371
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pentanamide
CID 149202431
1-(1,3-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 102802687
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 114966369) is 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BEZBCLCNVUUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3IO/c16-15(17,18)11-5-3-4-10(8-11)9-14(20)12-6-1-2-7-13(12)19/h1-8H,9H2.
What are the key properties of 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 390.14 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).