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

C12H14F3NO2 — CID 5133373

IUPACN-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCCCOc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-3-8-18-10-6-4-9(5-7-10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3,(H,16,17)
InChIKeyVEDXXKPPOOARBC-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.37
Rot. Bonds5

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

N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 5133373) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID5133373
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCCCOc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-3-8-18-10-6-4-9(5-7-10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3,(H,16,17)
InChIKeyVEDXXKPPOOARBC-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
N-(4-butoxyphenyl)butanamide
CID 4939679
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide (CID 5133373) is N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide is CCCCOc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is VEDXXKPPOOARBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-3-8-18-10-6-4-9(5-7-10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3,(H,16,17).
What are the key properties of N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide?
N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 261.24 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5133373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).