2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide

C13H16F3NO2 — CID 62729345

IUPAC2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-8(2)19-11-6-4-5-10(7-11)9(3)17-12(18)13(14,15)16/h4-9H,1-3H3,(H,17,18)
InChIKeySGWGHLPDARMIIZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.21
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 62729345) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID62729345
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-8(2)19-11-6-4-5-10(7-11)9(3)17-12(18)13(14,15)16/h4-9H,1-3H3,(H,17,18)
InChIKeySGWGHLPDARMIIZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide
CID 144905166
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide
CID 47210467
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide
CID 120588639
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
1,2-dimethyl-3-[1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 51131497
1,2-dimethyl-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 52516530
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 60852899
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide (CID 62729345) is 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1cccc(C(C)NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is SGWGHLPDARMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(2)19-11-6-4-5-10(7-11)9(3)17-12(18)13(14,15)16/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 3.21, 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-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 62729345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).