2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide

C12H14F3NO2 — CID 62492492

IUPAC2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-9-4-3-5-10(8-9)18-7-6-16(2)11(17)12(13,14)15/h3-5,8H,6-7H2,1-2H3
InChIKeyCFIQOVBSDUOIGE-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.39
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 62492492) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID62492492
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-9-4-3-5-10(8-9)18-7-6-16(2)11(17)12(13,14)15/h3-5,8H,6-7H2,1-2H3
InChIKeyCFIQOVBSDUOIGE-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695698
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
CID 31666859
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 62492492) is 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCN(C)C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is CFIQOVBSDUOIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-9-4-3-5-10(8-9)18-7-6-16(2)11(17)12(13,14)15/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 62492492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).