N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C14H14F3NO3 — CID 103209891

IUPACN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCc1ccccc1C#CCO
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-21-9-13(20)18-8-12-5-2-1-4-11(12)6-3-7-19/h1-2,4-5,19H,7-10H2,(H,18,20)
InChIKeyJSXBMGHMTQWTBV-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.23
Rot. Bonds5

About N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209891) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209891
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCc1ccccc1C#CCO
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-21-9-13(20)18-8-12-5-2-1-4-11(12)6-3-7-19/h1-2,4-5,19H,7-10H2,(H,18,20)
InChIKeyJSXBMGHMTQWTBV-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide
CID 55031761
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209924
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209984
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557434
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103806176
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
CID 104639396
3-[2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]phenyl]propanoic acid
CID 107272426
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 65215157
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxythiophene-2-carboxamide
CID 81121475
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103209963
2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
CID 115465158

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209891) is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCc1ccccc1C#CCO.
What is the InChIKey of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JSXBMGHMTQWTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-21-9-13(20)18-8-12-5-2-1-4-11(12)6-3-7-19/h1-2,4-5,19H,7-10H2,(H,18,20).
What are the key properties of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 301.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).