[2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium

C10H11F3NO2+ — CID 23378438

IUPAC[2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium
SMILESCOC(=O)C([NH3+])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,14H2,1H3/p+1
InChIKeyISMPUIZSHQXQDU-UHFFFAOYSA-O
MW234.20 g/mol
LogP1.16
Rot. Bonds2

About [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium

[2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium (PubChem CID 23378438) has the molecular formula C10H11F3NO2+ and a molecular weight of 234.20 g/mol. Its IUPAC name is [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium.

Molecular Properties

Compound Name[2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium
PubChem CID23378438
Molecular FormulaC10H11F3NO2+
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Name[2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium
SMILESCOC(=O)C([NH3+])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,14H2,1H3/p+1
InChIKeyISMPUIZSHQXQDU-UHFFFAOYSA-O
XLogP1.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium 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

L-Phenylglycine
CID 99291
2-Phenylglycine
CID 3866
Phenylglycine, D-
CID 70134
2-Fluoro-DL-phenylglycine
CID 580073
2-amino-2-(2,3-difluorophenyl)acetic Acid
CID 2737049
2-amino-2-(2,4-difluorophenyl)acetic Acid
CID 2737050
(2S)-2-amino-2-(2-methylphenyl)acetic acid
CID 1501939
L-Phenylalanine, methyl ester
CID 736234
Methyl L-phenylalaninate hydrochloride
CID 75736
(1)-4-Fluorophenylglycine
CID 98313
Methyl phenylglycine
CID 117324
(R)-Methyl 2-amino-3-phenylpropanoate
CID 853474

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium?
The IUPAC name of [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium (CID 23378438) is [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium.
What is the SMILES notation for [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium?
The canonical SMILES for [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium is COC(=O)C([NH3+])c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium?
The InChIKey is ISMPUIZSHQXQDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F3NO2/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,14H2,1H3/p+1.
What are the key properties of [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium?
[2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium has a molecular weight of 234.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]azanium is sourced from PubChem (CID 23378438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).