N-methoxymethanamine;2,2,2-trifluoroacetic acid

C4H8F3NO3 — CID 86135706

IUPACN-methoxymethanamine;2,2,2-trifluoroacetic acid
SMILESCNOC.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-3-4-2/h(H,6,7);3H,1-2H3
InChIKeyCSYNIRXCLPYWLR-UHFFFAOYSA-N
MW175.11 g/mol
LogP0.40
Rot. Bonds1

About N-methoxymethanamine;2,2,2-trifluoroacetic acid

N-methoxymethanamine;2,2,2-trifluoroacetic acid (PubChem CID 86135706) has the molecular formula C4H8F3NO3 and a molecular weight of 175.11 g/mol. Its IUPAC name is N-methoxymethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methoxymethanamine;2,2,2-trifluoroacetic acid
PubChem CID86135706
Molecular FormulaC4H8F3NO3
Molecular Weight175.11 g/mol
Exact Mass175.05
IUPAC NameN-methoxymethanamine;2,2,2-trifluoroacetic acid
SMILESCNOC.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-3-4-2/h(H,6,7);3H,1-2H3
InChIKeyCSYNIRXCLPYWLR-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
methyl carbonochloridate;bis(2,2,2-trifluoroacetic acid)
CID 172751542
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002

Frequently Asked Questions

What is the IUPAC name of N-methoxymethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methoxymethanamine;2,2,2-trifluoroacetic acid (CID 86135706) is N-methoxymethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methoxymethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methoxymethanamine;2,2,2-trifluoroacetic acid is CNOC.O=C(O)C(F)(F)F.
What is the InChIKey of N-methoxymethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is CSYNIRXCLPYWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-3-4-2/h(H,6,7);3H,1-2H3.
What are the key properties of N-methoxymethanamine;2,2,2-trifluoroacetic acid?
N-methoxymethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 175.11 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxymethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86135706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).