methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

C13H15F3NO3- — CID 159697418

IUPACmethoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOC[NH-].O=C(O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O2.C2H6NO/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(8)10(15)16;1-4-2-3/h1-4,8-9H,5H2,(H,15,16);3H,2H2,1H3/q;-1
InChIKeyMXEOTKXPRSCBCE-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.54
Rot. Bonds3

About methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 159697418) has the molecular formula C13H15F3NO3- and a molecular weight of 290.26 g/mol. Its IUPAC name is methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namemethoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID159697418
Molecular FormulaC13H15F3NO3-
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Namemethoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOC[NH-].O=C(O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O2.C2H6NO/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(8)10(15)16;1-4-2-3/h1-4,8-9H,5H2,(H,15,16);3H,2H2,1H3/q;-1
InChIKeyMXEOTKXPRSCBCE-UHFFFAOYSA-N
XLogP3.54
TPSA70.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (CID 159697418) is methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is COC[NH-].O=C(O)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MXEOTKXPRSCBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2.C2H6NO/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(8)10(15)16;1-4-2-3/h1-4,8-9H,5H2,(H,15,16);3H,2H2,1H3/q;-1.
What are the key properties of methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 159697418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).