N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide

C17H32F3NO — CID 150813708

IUPACN-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
SMILESCCCCCCCCCC(C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-4-5-6-7-8-9-10-12-16(2,3)13-11-14-21-15(22)17(18,19)20/h4-14H2,1-3H3,(H,21,22)
InChIKeyKIKQMOYFOWSEST-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.61
Rot. Bonds12

About N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide

N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide (PubChem CID 150813708) has the molecular formula C17H32F3NO and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
PubChem CID150813708
Molecular FormulaC17H32F3NO
Molecular Weight323.44 g/mol
Exact Mass323.24
IUPAC NameN-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
SMILESCCCCCCCCCC(C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-4-5-6-7-8-9-10-12-16(2,3)13-11-14-21-15(22)17(18,19)20/h4-14H2,1-3H3,(H,21,22)
InChIKeyKIKQMOYFOWSEST-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.61
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

2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide
CID 17285414
2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide
CID 91752756
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-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2-(butylcarbamoyl)-2-methyloctanoic acid
CID 140981558
3,3-dimethyl-N-octyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 172907302
16,16,21,21-tetramethylhexatriacontane
CID 174880889

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide (CID 150813708) is N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide is CCCCCCCCCC(C)(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide?
The InChIKey is KIKQMOYFOWSEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3NO/c1-4-5-6-7-8-9-10-12-16(2,3)13-11-14-21-15(22)17(18,19)20/h4-14H2,1-3H3,(H,21,22).
What are the key properties of N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide?
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide has a molecular weight of 323.44 g/mol, XLogP of 5.61, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 150813708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).