2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide

C8H13F3INO2 — CID 87580738

IUPAC2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide
SMILESO=C(NCCCCCC(O)I)C(F)(F)F
InChIInChI=1S/C8H13F3INO2/c9-8(10,11)7(15)13-5-3-1-2-4-6(12)14/h6,14H,1-5H2,(H,13,15)
InChIKeyRTGNBLRBAHKFID-UHFFFAOYSA-N
MW339.10 g/mol
LogP1.98
Rot. Bonds6

About 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide

2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide (PubChem CID 87580738) has the molecular formula C8H13F3INO2 and a molecular weight of 339.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide
PubChem CID87580738
Molecular FormulaC8H13F3INO2
Molecular Weight339.10 g/mol
Exact Mass338.99
IUPAC Name2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide
SMILESO=C(NCCCCCC(O)I)C(F)(F)F
InChIInChI=1S/C8H13F3INO2/c9-8(10,11)7(15)13-5-3-1-2-4-6(12)14/h6,14H,1-5H2,(H,13,15)
InChIKeyRTGNBLRBAHKFID-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(5-Hydroxypentyl)trifluoroacetamide
CID 4459265
N-(6-Hydroxyhexyl)trifluoroacetamide
CID 3627607
2,2,2-trifluoro-N-[(2r)-1-hydroxy-hexan-2-yl]-acetamide
CID 129774023
10-[(Trifluoroacetyl)amino]-1-decanol
CID 53413893
2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide
CID 86289671
2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
CID 87145885
2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide
CID 87630277
12-Trifluoroacetamidododecanol
CID 117678242
N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide
CID 140655088
N-(4,6-dihydroxyhexyl)-2,2,2-trifluoroacetamide
CID 141774563
6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
CID 159844266
2,2,2-trifluoro-N-(6-sulfanyloxyhexyl)acetamide
CID 162358271

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide (CID 87580738) is 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide is O=C(NCCCCCC(O)I)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide?
The InChIKey is RTGNBLRBAHKFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3INO2/c9-8(10,11)7(15)13-5-3-1-2-4-6(12)14/h6,14H,1-5H2,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide?
2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide has a molecular weight of 339.10 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide is sourced from PubChem (CID 87580738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).