N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane

C14H20F3NO2 — CID 91382909

IUPACN-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane
SMILESCC.Cc1cccc(C)c1C(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2.C2H6/c1-7-4-3-5-8(2)10(7)9(17)6-16-11(18)12(13,14)15;1-2/h3-5,9,17H,6H2,1-2H3,(H,16,18);1-2H3
InChIKeyLENKYBIVLJVMBV-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.04
Rot. Bonds3

About N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane

N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane (PubChem CID 91382909) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane
PubChem CID91382909
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane
SMILESCC.Cc1cccc(C)c1C(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2.C2H6/c1-7-4-3-5-8(2)10(7)9(17)6-16-11(18)12(13,14)15;1-2/h3-5,9,17H,6H2,1-2H3,(H,16,18);1-2H3
InChIKeyLENKYBIVLJVMBV-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 107335113
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N-[3-(3-bromophenyl)-3-hydroxy-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 76624635
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide
CID 87830198
(3R)-3-phenyl-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 96582816

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane?
The IUPAC name of N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane (CID 91382909) is N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane is CC.Cc1cccc(C)c1C(O)CNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane?
The InChIKey is LENKYBIVLJVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2.C2H6/c1-7-4-3-5-8(2)10(7)9(17)6-16-11(18)12(13,14)15;1-2/h3-5,9,17H,6H2,1-2H3,(H,16,18);1-2H3.
What are the key properties of N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane?
N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane has a molecular weight of 291.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane is sourced from PubChem (CID 91382909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).