fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid

C17H15F3FmNO4- — CID 166490365

IUPACfermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid
SMILESCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1.O=[C-]NCC(=O)O.[Fm]
InChIInChI=1S/C14H11F3O.C3H4NO3.Fm/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)18-14(15,16)17;5-2-4-1-3(6)7;/h2-9H,1H3;1H2,(H,4,5)(H,6,7);/q;-1;
InChIKeyXSVMLXKXZCJYJH-UHFFFAOYSA-N
MW611.30 g/mol
LogP3.29
Rot. Bonds5

About fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid

fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid (PubChem CID 166490365) has the molecular formula C17H15F3FmNO4- and a molecular weight of 611.30 g/mol. Its IUPAC name is fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid.

Molecular Properties

Compound Namefermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid
PubChem CID166490365
Molecular FormulaC17H15F3FmNO4-
Molecular Weight611.30 g/mol
Exact Mass611.19
IUPAC Namefermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid
SMILESCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1.O=[C-]NCC(=O)O.[Fm]
InChIInChI=1S/C14H11F3O.C3H4NO3.Fm/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)18-14(15,16)17;5-2-4-1-3(6)7;/h2-9H,1H3;1H2,(H,4,5)(H,6,7);/q;-1;
InChIKeyXSVMLXKXZCJYJH-UHFFFAOYSA-N
XLogP3.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
3-amino-3-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 135366687
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 69182893
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
2-[3-methoxy-5-[3-[4-(trifluoromethoxy)phenyl]phenoxy]phenyl]acetic acid
CID 25062184

Frequently Asked Questions

What is the IUPAC name of fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid?
The IUPAC name of fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid (CID 166490365) is fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid.
What is the SMILES notation for fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid?
The canonical SMILES for fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid is Cc1ccc(-c2cccc(OC(F)(F)F)c2)cc1.O=[C-]NCC(=O)O.[Fm].
What is the InChIKey of fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid?
The InChIKey is XSVMLXKXZCJYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O.C3H4NO3.Fm/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)18-14(15,16)17;5-2-4-1-3(6)7;/h2-9H,1H3;1H2,(H,4,5)(H,6,7);/q;-1;.
What are the key properties of fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid?
fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid has a molecular weight of 611.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid is sourced from PubChem (CID 166490365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).