methyl 3-(2,2,2-trifluoroethoxyamino)propanoate

C6H10F3NO3 — CID 82722499

IUPACmethyl 3-(2,2,2-trifluoroethoxyamino)propanoate
SMILESCOC(=O)CCNOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-12-5(11)2-3-10-13-4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyZCLIMRZMUMLKLF-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.63
Rot. Bonds5

About methyl 3-(2,2,2-trifluoroethoxyamino)propanoate

methyl 3-(2,2,2-trifluoroethoxyamino)propanoate (PubChem CID 82722499) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is methyl 3-(2,2,2-trifluoroethoxyamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,2,2-trifluoroethoxyamino)propanoate
PubChem CID82722499
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namemethyl 3-(2,2,2-trifluoroethoxyamino)propanoate
SMILESCOC(=O)CCNOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-12-5(11)2-3-10-13-4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyZCLIMRZMUMLKLF-UHFFFAOYSA-N
XLogP0.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
CID 107529803
methyl 2-(2,2,2-trifluoroethoxy)acetate
CID 19381016
2-methylsulfonyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82721276
methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol
CID 82721379
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721279
N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82711441
2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 104644918
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
3-methylsulfanyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82712078
N-(2,2,2-trifluoroethoxy)dodecan-1-amine
CID 82721644
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82722976

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2,2-trifluoroethoxyamino)propanoate?
The IUPAC name of methyl 3-(2,2,2-trifluoroethoxyamino)propanoate (CID 82722499) is methyl 3-(2,2,2-trifluoroethoxyamino)propanoate.
What is the SMILES notation for methyl 3-(2,2,2-trifluoroethoxyamino)propanoate?
The canonical SMILES for methyl 3-(2,2,2-trifluoroethoxyamino)propanoate is COC(=O)CCNOCC(F)(F)F.
What is the InChIKey of methyl 3-(2,2,2-trifluoroethoxyamino)propanoate?
The InChIKey is ZCLIMRZMUMLKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-12-5(11)2-3-10-13-4-6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of methyl 3-(2,2,2-trifluoroethoxyamino)propanoate?
methyl 3-(2,2,2-trifluoroethoxyamino)propanoate has a molecular weight of 201.14 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2,2-trifluoroethoxyamino)propanoate is sourced from PubChem (CID 82722499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).