2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide

C13H12F4INO — CID 24773561

IUPAC2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCc1ccc(F)cc1I)C(=O)C(F)(F)F
InChIInChI=1S/C13H12F4INO/c1-2-6-19(12(20)13(15,16)17)7-5-9-3-4-10(14)8-11(9)18/h2-4,8H,1,5-7H2
InChIKeyUOYJIHYCVKOMJJ-UHFFFAOYSA-N
MW401.14 g/mol
LogP3.55
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide

2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide (PubChem CID 24773561) has the molecular formula C13H12F4INO and a molecular weight of 401.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide
PubChem CID24773561
Molecular FormulaC13H12F4INO
Molecular Weight401.14 g/mol
Exact Mass400.99
IUPAC Name2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCc1ccc(F)cc1I)C(=O)C(F)(F)F
InChIInChI=1S/C13H12F4INO/c1-2-6-19(12(20)13(15,16)17)7-5-9-3-4-10(14)8-11(9)18/h2-4,8H,1,5-7H2
InChIKeyUOYJIHYCVKOMJJ-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 165145469
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]-N-(3-methylbut-2-enyl)acetamide
CID 86760842
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
CID 155601387
CID 155601387
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
2-(4-fluorophenoxy)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 78800718
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
CID 78829539
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
(4-fluoro-2-iodophenyl)methanamine
CID 21069911
(2-ethenyl-4-fluorophenyl)methanol
CID 118307012
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide (CID 24773561) is 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide is C=CCN(CCc1ccc(F)cc1I)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide?
The InChIKey is UOYJIHYCVKOMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4INO/c1-2-6-19(12(20)13(15,16)17)7-5-9-3-4-10(14)8-11(9)18/h2-4,8H,1,5-7H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide?
2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide has a molecular weight of 401.14 g/mol, XLogP of 3.55, 5 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-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 24773561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).