ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide

C10H20F3NO2 — CID 176937290

IUPACethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
SMILESCC.O=C(NCCCCCCO)C(F)(F)F
InChIInChI=1S/C8H14F3NO2.C2H6/c9-8(10,11)7(14)12-5-3-1-2-4-6-13;1-2/h13H,1-6H2,(H,12,14);1-2H3
InChIKeyRPQLAMLRJHAKKB-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.24
Rot. Bonds6

About ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide

ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide (PubChem CID 176937290) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
PubChem CID176937290
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Nameethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
SMILESCC.O=C(NCCCCCCO)C(F)(F)F
InChIInChI=1S/C8H14F3NO2.C2H6/c9-8(10,11)7(14)12-5-3-1-2-4-6-13;1-2/h13H,1-6H2,(H,12,14);1-2H3
InChIKeyRPQLAMLRJHAKKB-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide (CID 176937290) is ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide is CC.O=C(NCCCCCCO)C(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
The InChIKey is RPQLAMLRJHAKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2.C2H6/c9-8(10,11)7(14)12-5-3-1-2-4-6-13;1-2/h13H,1-6H2,(H,12,14);1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide has a molecular weight of 243.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide is sourced from PubChem (CID 176937290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).