4,4,4-trifluoro-N-(3-iodopropyl)butanamide

C7H11F3INO — CID 114504286

IUPAC4,4,4-trifluoro-N-(3-iodopropyl)butanamide
SMILESO=C(CCC(F)(F)F)NCCCI
InChIInChI=1S/C7H11F3INO/c8-7(9,10)3-2-6(13)12-5-1-4-11/h1-5H2,(H,12,13)
InChIKeyMBSNCJMYKLILJG-UHFFFAOYSA-N
MW309.07 g/mol
LogP2.27
Rot. Bonds5

About 4,4,4-trifluoro-N-(3-iodopropyl)butanamide

4,4,4-trifluoro-N-(3-iodopropyl)butanamide (PubChem CID 114504286) has the molecular formula C7H11F3INO and a molecular weight of 309.07 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-iodopropyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-iodopropyl)butanamide
PubChem CID114504286
Molecular FormulaC7H11F3INO
Molecular Weight309.07 g/mol
Exact Mass308.98
IUPAC Name4,4,4-trifluoro-N-(3-iodopropyl)butanamide
SMILESO=C(CCC(F)(F)F)NCCCI
InChIInChI=1S/C7H11F3INO/c8-7(9,10)3-2-6(13)12-5-1-4-11/h1-5H2,(H,12,13)
InChIKeyMBSNCJMYKLILJG-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
N-(3-iodopropyl)butanamide
CID 114504418
N-(4-iodobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106846214
N-(5,5,5-trifluoropentyl)butanamide
CID 115491572
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
CID 131949460
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
N-(6-iodohexyl)butanamide
CID 107848130
4-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 63227541
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-iodopropyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-iodopropyl)butanamide (CID 114504286) is 4,4,4-trifluoro-N-(3-iodopropyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-iodopropyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-iodopropyl)butanamide is O=C(CCC(F)(F)F)NCCCI.
What is the InChIKey of 4,4,4-trifluoro-N-(3-iodopropyl)butanamide?
The InChIKey is MBSNCJMYKLILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3INO/c8-7(9,10)3-2-6(13)12-5-1-4-11/h1-5H2,(H,12,13).
What are the key properties of 4,4,4-trifluoro-N-(3-iodopropyl)butanamide?
4,4,4-trifluoro-N-(3-iodopropyl)butanamide has a molecular weight of 309.07 g/mol, XLogP of 2.27, 5 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-(3-iodopropyl)butanamide is sourced from PubChem (CID 114504286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).