2,2,2-trifluoro-N-(7-methyloctyl)acetamide

C11H20F3NO — CID 62491646

IUPAC2,2,2-trifluoro-N-(7-methyloctyl)acetamide
SMILESCC(C)CCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(2)7-5-3-4-6-8-15-10(16)11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyPBAIBFRBCSTFMZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.27
Rot. Bonds7

About 2,2,2-trifluoro-N-(7-methyloctyl)acetamide

2,2,2-trifluoro-N-(7-methyloctyl)acetamide (PubChem CID 62491646) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-methyloctyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-methyloctyl)acetamide
PubChem CID62491646
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,2,2-trifluoro-N-(7-methyloctyl)acetamide
SMILESCC(C)CCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(2)7-5-3-4-6-8-15-10(16)11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyPBAIBFRBCSTFMZ-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide
CID 170026598
2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
1-methyl-3-(7-methyloctyl)urea
CID 71899901
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-(5-cyanopentyl)-2,2,2-trifluoroacetamide
CID 130012441

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-methyloctyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-methyloctyl)acetamide (CID 62491646) is 2,2,2-trifluoro-N-(7-methyloctyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-methyloctyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-methyloctyl)acetamide is CC(C)CCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(7-methyloctyl)acetamide?
The InChIKey is PBAIBFRBCSTFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(2)7-5-3-4-6-8-15-10(16)11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(7-methyloctyl)acetamide?
2,2,2-trifluoro-N-(7-methyloctyl)acetamide has a molecular weight of 239.28 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-methyloctyl)acetamide is sourced from PubChem (CID 62491646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).