2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

C10H17F3N2O2 — CID 114467943

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(2)6-17-5-4-15-8(16)9(3,14)10(11,12)13/h1,4-6,14H2,2-3H3,(H,15,16)
InChIKeyUVVAJVZPXOHEPR-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.98
Rot. Bonds6

About 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 114467943) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID114467943
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(2)6-17-5-4-15-8(16)9(3,14)10(11,12)13/h1,4-6,14H2,2-3H3,(H,15,16)
InChIKeyUVVAJVZPXOHEPR-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 167229386
2-methyl-2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63826889
2-(ethylamino)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63827589
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63827591
2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797358
2-amino-N-(2-butoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805269
2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811655
3-(2,2-difluoroethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103208993
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide
CID 103310130
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 103516110
2,2,3,3-tetrafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103769575
2-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylpropanamide
CID 105909925

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 114467943) is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is UVVAJVZPXOHEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(2)6-17-5-4-15-8(16)9(3,14)10(11,12)13/h1,4-6,14H2,2-3H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is sourced from PubChem (CID 114467943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).