N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide

C8H14F3NO2 — CID 140655088

IUPACN-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide
SMILESCC(=O)NC(O)CCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(13)12-7(14)4-2-3-5-8(9,10)11/h7,14H,2-5H2,1H3,(H,12,13)
InChIKeyGMMWPHHTKKXLEZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.56
Rot. Bonds5

About N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide

N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide (PubChem CID 140655088) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide.

Molecular Properties

Compound NameN-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide
PubChem CID140655088
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC NameN-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide
SMILESCC(=O)NC(O)CCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(13)12-7(14)4-2-3-5-8(9,10)11/h7,14H,2-5H2,1H3,(H,12,13)
InChIKeyGMMWPHHTKKXLEZ-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'}

Analyze N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide?
The IUPAC name of N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide (CID 140655088) is N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide.
What is the SMILES notation for N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide?
The canonical SMILES for N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide is CC(=O)NC(O)CCCCC(F)(F)F.
What is the InChIKey of N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide?
The InChIKey is GMMWPHHTKKXLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(13)12-7(14)4-2-3-5-8(9,10)11/h7,14H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide?
N-(6,6,6-trifluoro-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 N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide is sourced from PubChem (CID 140655088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).