2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide

C8H14F3NO2 — CID 87145885

IUPAC2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
SMILESCCCCCC(O)NC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-3-4-5-6(13)12-7(14)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyVKUAFVOSSZNGRM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.56
Rot. Bonds5

About 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide

2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide (PubChem CID 87145885) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
PubChem CID87145885
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
SMILESCCCCCC(O)NC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-3-4-5-6(13)12-7(14)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyVKUAFVOSSZNGRM-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(5-Hydroxypentyl)trifluoroacetamide
CID 4459265
N-(6-Hydroxyhexyl)trifluoroacetamide
CID 3627607
N-(6-Hydroxyhexyl)acetamide
CID 12571395
2,2,2-trifluoro-N-[(2r)-1-hydroxy-hexan-2-yl]-acetamide
CID 129774023
N-(6-Hydroxyhexyl)butanamide
CID 15732299
2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide
CID 53413893
2,2,2-trifluoro-N-(6-methylperoxyhexyl)acetamide
CID 53688245
2,2,2-trifluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 80291520
2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide
CID 86289671
(R)-4-(trifluoroacetylamino)-1-pentanol
CID 86661756
2,2,2-trifluoro-N-(6-hydroxy-6-iodohexyl)acetamide
CID 87580738
2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide
CID 87630277

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide (CID 87145885) is 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide is CCCCCC(O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide?
The InChIKey is VKUAFVOSSZNGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-3-4-5-6(13)12-7(14)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide?
2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.56, 5 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-(1-hydroxyhexyl)acetamide is sourced from PubChem (CID 87145885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).