2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide

C6H11F3N2O2 — CID 130627633

IUPAC2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
SMILESCONCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-13-11-4-2-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyLNCBSSMBWIRCMG-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.21
Rot. Bonds5

About 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide

2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide (PubChem CID 130627633) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
PubChem CID130627633
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
SMILESCONCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-13-11-4-2-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyLNCBSSMBWIRCMG-UHFFFAOYSA-N
XLogP0.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.21
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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Related Compounds

methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
CID 130165694
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
CID 172843562
2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934768
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 18970234
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
CID 58152578

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide (CID 130627633) is 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide is CONCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide?
The InChIKey is LNCBSSMBWIRCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-13-11-4-2-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide?
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide has a molecular weight of 200.16 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide is sourced from PubChem (CID 130627633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).