N-propoxymethanamine;2,2,2-trifluoroacetic acid

C6H12F3NO3 — CID 175742656

IUPACN-propoxymethanamine;2,2,2-trifluoroacetic acid
SMILESCCCONC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11NO.C2HF3O2/c1-3-4-6-5-2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3;(H,6,7)
InChIKeyLCYAPUQFXPALQS-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.18
Rot. Bonds3

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

N-propoxymethanamine;2,2,2-trifluoroacetic acid (PubChem CID 175742656) has the molecular formula C6H12F3NO3 and a molecular weight of 203.16 g/mol. Its IUPAC name is N-propoxymethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propoxymethanamine;2,2,2-trifluoroacetic acid
PubChem CID175742656
Molecular FormulaC6H12F3NO3
Molecular Weight203.16 g/mol
Exact Mass203.08
IUPAC NameN-propoxymethanamine;2,2,2-trifluoroacetic acid
SMILESCCCONC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11NO.C2HF3O2/c1-3-4-6-5-2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3;(H,6,7)
InChIKeyLCYAPUQFXPALQS-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-propoxymethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propoxymethanamine;2,2,2-trifluoroacetic acid (CID 175742656) is N-propoxymethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propoxymethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propoxymethanamine;2,2,2-trifluoroacetic acid is CCCONC.O=C(O)C(F)(F)F.
What is the InChIKey of N-propoxymethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is LCYAPUQFXPALQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2HF3O2/c1-3-4-6-5-2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3;(H,6,7).
What are the key properties of N-propoxymethanamine;2,2,2-trifluoroacetic acid?
N-propoxymethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 203.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxymethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175742656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).