2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C15H20F3NO2 — CID 112776801

IUPAC2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCCc1ccc(OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-3-4-5-12-6-8-13(9-7-12)21-10-14(20)19-11-15(16,17)18/h6-9H,2-5,10-11H2,1H3,(H,19,20)
InChIKeyWMXKNEOWHAMNPM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.48
Rot. Bonds8

About 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112776801) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112776801
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCCc1ccc(OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-3-4-5-12-6-8-13(9-7-12)21-10-14(20)19-11-15(16,17)18/h6-9H,2-5,10-11H2,1H3,(H,19,20)
InChIKeyWMXKNEOWHAMNPM-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.48
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-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
2-(4-octylphenoxy)acetic acid
CID 27145
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684996
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
2-(4-nonylphenoxy)acetamide
CID 54388059
2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492639
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
4-[4-(4-octylphenoxy)-3-oxobutanoyl]benzoic acid
CID 91806985

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 112776801) is 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is CCCCCc1ccc(OCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WMXKNEOWHAMNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-3-4-5-12-6-8-13(9-7-12)21-10-14(20)19-11-15(16,17)18/h6-9H,2-5,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112776801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).