2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide

C13H12F3NO2 — CID 144905166

IUPAC2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide
SMILESC#CCOc1cccc(C(C)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO2/c1-3-7-19-11-6-4-5-10(8-11)9(2)17-12(18)13(14,15)16/h1,4-6,8-9H,7H2,2H3,(H,17,18)
InChIKeyUCXLPSPHEGZKDD-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.44
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide (PubChem CID 144905166) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide
PubChem CID144905166
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide
SMILESC#CCOc1cccc(C(C)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO2/c1-3-7-19-11-6-4-5-10(8-11)9(2)17-12(18)13(14,15)16/h1,4-6,8-9H,7H2,2H3,(H,17,18)
InChIKeyUCXLPSPHEGZKDD-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 95318865
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]pent-4-ynamide
CID 141438615
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
(3R)-3-hydroxy-4-methyl-N-[(1S)-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(trifluoromethyl)pentanamide
CID 139414577
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide
CID 120588639
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide (CID 144905166) is 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide is C#CCOc1cccc(C(C)NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide?
The InChIKey is UCXLPSPHEGZKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-3-7-19-11-6-4-5-10(8-11)9(2)17-12(18)13(14,15)16/h1,4-6,8-9H,7H2,2H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide has a molecular weight of 271.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 144905166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).