2,2,2-trifluoro-N-icosylacetamide

C22H42F3NO — CID 91692791

IUPAC2,2,2-trifluoro-N-icosylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C22H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21(27)22(23,24)25/h2-20H2,1H3,(H,26,27)
InChIKeyMOXAXUSNVSZOAE-UHFFFAOYSA-N
MW393.58 g/mol
LogP7.71
Rot. Bonds19

About 2,2,2-trifluoro-N-icosylacetamide

2,2,2-trifluoro-N-icosylacetamide (PubChem CID 91692791) has the molecular formula C22H42F3NO and a molecular weight of 393.58 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-icosylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-icosylacetamide
PubChem CID91692791
Molecular FormulaC22H42F3NO
Molecular Weight393.58 g/mol
Exact Mass393.32
IUPAC Name2,2,2-trifluoro-N-icosylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C22H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21(27)22(23,24)25/h2-20H2,1H3,(H,26,27)
InChIKeyMOXAXUSNVSZOAE-UHFFFAOYSA-N
XLogP7.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 57.71
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

N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-diheptylheptanediamide
CID 5227382
N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2,2-trifluoro-N-[(E)-8-oxooctadec-9-enyl]acetamide
CID 24800898
2,2,2-trifluoro-N-[(E)-11-oxooctadec-9-enyl]acetamide
CID 24801594
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
3,3-dimethyl-N-octyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 172907302

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-icosylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-icosylacetamide (CID 91692791) is 2,2,2-trifluoro-N-icosylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-icosylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-icosylacetamide is CCCCCCCCCCCCCCCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-icosylacetamide?
The InChIKey is MOXAXUSNVSZOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21(27)22(23,24)25/h2-20H2,1H3,(H,26,27).
What are the key properties of 2,2,2-trifluoro-N-icosylacetamide?
2,2,2-trifluoro-N-icosylacetamide has a molecular weight of 393.58 g/mol, XLogP of 7.71, 19 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-icosylacetamide is sourced from PubChem (CID 91692791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).