[2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate

C11H10F3NO4 — CID 90789930

IUPAC[2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCOc1ccc(C(OC(=O)C(F)(F)F)C(N)=O)cc1
InChIInChI=1S/C11H10F3NO4/c1-18-7-4-2-6(3-5-7)8(9(15)16)19-10(17)11(12,13)14/h2-5,8H,1H3,(H2,15,16)
InChIKeyVHRGPWSJXKDWMB-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.33
Rot. Bonds4

About [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate

[2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 90789930) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID90789930
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name[2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCOc1ccc(C(OC(=O)C(F)(F)F)C(N)=O)cc1
InChIInChI=1S/C11H10F3NO4/c1-18-7-4-2-6(3-5-7)8(9(15)16)19-10(17)11(12,13)14/h2-5,8H,1H3,(H2,15,16)
InChIKeyVHRGPWSJXKDWMB-UHFFFAOYSA-N
XLogP1.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazolidine-2,4-dione, 5-(4-ethoxyphenyl)-
CID 579075
5-(4-Methoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 13599126
2-{4-[(Propan-2-yl)oxy]phenyl}acetamide
CID 44371701
2-[4-(Carbamoylmethyl)phenoxy]acetic acid
CID 17608055
Methyl 2-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 4616549
5-p-Methoxyphenyl-2,2-bistrifluoromethyl-4-oxazolidinone
CID 129805751
3-Acetyl-5-p-methoxyphenyl-2,2-bistrifluoromethyl-4-oxazolidinone
CID 129805919
2,2'-(Hexafluoroisopropylidenedioxy)bis[2-p-methoxyphenylacetamide]
CID 129805943
(2-Amino-2-oxoethyl) 4-methoxybenzoate
CID 2352786
3-(4-Methoxyphenyl)oxiranecarboxamide
CID 14855976
2-Phenoxy-2-phenylacetamide
CID 20389356
p-Methoxymandelamide
CID 45121941

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate (CID 90789930) is [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate is COc1ccc(C(OC(=O)C(F)(F)F)C(N)=O)cc1.
What is the InChIKey of [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is VHRGPWSJXKDWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c1-18-7-4-2-6(3-5-7)8(9(15)16)19-10(17)11(12,13)14/h2-5,8H,1H3,(H2,15,16).
What are the key properties of [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 277.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(4-methoxyphenyl)-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 90789930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).