N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide

C11H15F3N2O3 — CID 158345868

IUPACN-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide
SMILESCNOC.CON(C)C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3NO2.C2H7NO/c1-13(15-2)9(14)5-3-7(11)8(12)4-6(5)10;1-3-4-2/h3-4H,1-2H3;3H,1-2H3
InChIKeyGRSNQIZMKMHBHN-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.50
Rot. Bonds3

About N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide

N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide (PubChem CID 158345868) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide
PubChem CID158345868
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC NameN-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide
SMILESCNOC.CON(C)C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3NO2.C2H7NO/c1-13(15-2)9(14)5-3-7(11)8(12)4-6(5)10;1-3-4-2/h3-4H,1-2H3;3H,1-2H3
InChIKeyGRSNQIZMKMHBHN-UHFFFAOYSA-N
XLogP1.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide?
The IUPAC name of N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide (CID 158345868) is N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide?
The canonical SMILES for N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide is CNOC.CON(C)C(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide?
The InChIKey is GRSNQIZMKMHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2.C2H7NO/c1-13(15-2)9(14)5-3-7(11)8(12)4-6(5)10;1-3-4-2/h3-4H,1-2H3;3H,1-2H3.
What are the key properties of N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide?
N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide has a molecular weight of 280.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 158345868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).