4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide

C10H8F4INO — CID 79766480

IUPAC4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(F)cc1I
InChIInChI=1S/C10H8F4INO/c11-6-1-2-8(7(15)5-6)16-9(17)3-4-10(12,13)14/h1-2,5H,3-4H2,(H,16,17)
InChIKeySEABVDVHACKSOA-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.71
Rot. Bonds3

About 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide

4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide (PubChem CID 79766480) has the molecular formula C10H8F4INO and a molecular weight of 361.08 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
PubChem CID79766480
Molecular FormulaC10H8F4INO
Molecular Weight361.08 g/mol
Exact Mass360.96
IUPAC Name4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(F)cc1I
InChIInChI=1S/C10H8F4INO/c11-6-1-2-8(7(15)5-6)16-9(17)3-4-10(12,13)14/h1-2,5H,3-4H2,(H,16,17)
InChIKeySEABVDVHACKSOA-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide
CID 79760112
N-(4-fluoro-2-iodophenyl)-2-(4-methoxyphenyl)acetamide
CID 79767117
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
CID 79769171

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide (CID 79766480) is 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide is O=C(CCC(F)(F)F)Nc1ccc(F)cc1I.
What is the InChIKey of 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide?
The InChIKey is SEABVDVHACKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4INO/c11-6-1-2-8(7(15)5-6)16-9(17)3-4-10(12,13)14/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide?
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide has a molecular weight of 361.08 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide is sourced from PubChem (CID 79766480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).