1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid

C6H10F5NO3 — CID 174560445

IUPAC1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid
SMILESCOC(C)N.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C3H9NO/c4-2(5,1(9)10)3(6,7)8;1-3(4)5-2/h(H,9,10);3H,4H2,1-2H3
InChIKeyNCEVWURZEKOFHM-UHFFFAOYSA-N
MW239.14 g/mol
LogP1.21
Rot. Bonds2

About 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid

1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 174560445) has the molecular formula C6H10F5NO3 and a molecular weight of 239.14 g/mol. Its IUPAC name is 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID174560445
Molecular FormulaC6H10F5NO3
Molecular Weight239.14 g/mol
Exact Mass239.06
IUPAC Name1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid
SMILESCOC(C)N.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C3H9NO/c4-2(5,1(9)10)3(6,7)8;1-3(4)5-2/h(H,9,10);3H,4H2,1-2H3
InChIKeyNCEVWURZEKOFHM-UHFFFAOYSA-N
XLogP1.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid (CID 174560445) is 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid is COC(C)N.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is NCEVWURZEKOFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O2.C3H9NO/c4-2(5,1(9)10)3(6,7)8;1-3(4)5-2/h(H,9,10);3H,4H2,1-2H3.
What are the key properties of 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid?
1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 239.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 174560445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).