ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide

C12H16F3NO2 — CID 143097704

IUPACethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCC.COc1cccc(CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2.C2H6/c1-16-8-4-2-3-7(5-8)6-14-9(15)10(11,12)13;1-2/h2-5H,6H2,1H3,(H,14,15);1-2H3
InChIKeyGHYSDUMIXFSTRU-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.90
Rot. Bonds3

About ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide

ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 143097704) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID143097704
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Nameethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCC.COc1cccc(CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2.C2H6/c1-16-8-4-2-3-7(5-8)6-14-9(15)10(11,12)13;1-2/h2-5H,6H2,1H3,(H,14,15);1-2H3
InChIKeyGHYSDUMIXFSTRU-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934666
3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 66746123
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide (CID 143097704) is ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide is CC.COc1cccc(CNC(=O)C(F)(F)F)c1.
What is the InChIKey of ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is GHYSDUMIXFSTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2.C2H6/c1-16-8-4-2-3-7(5-8)6-14-9(15)10(11,12)13;1-2/h2-5H,6H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide?
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 263.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 143097704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).