N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

C14H14F3NO3 — CID 103209883

IUPACN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-21-9-13(20)18-12-6-4-11(5-7-12)3-1-2-8-19/h4-7,19H,2,8-10H2,(H,18,20)
InChIKeySPWJVVSGZOWXJK-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.94
Rot. Bonds5

About N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209883) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209883
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-21-9-13(20)18-12-6-4-11(5-7-12)3-1-2-8-19/h4-7,19H,2,8-10H2,(H,18,20)
InChIKeySPWJVVSGZOWXJK-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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

N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
4-[4-(2,2,2-trifluoroethoxymethoxy)phenyl]but-3-yn-1-ol
CID 106705542
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803360
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
CID 54922436
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209995
N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106910317
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209883) is N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ccc(C#CCCO)cc1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SPWJVVSGZOWXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-21-9-13(20)18-12-6-4-11(5-7-12)3-1-2-8-19/h4-7,19H,2,8-10H2,(H,18,20).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 301.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).