propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

C9H12F5NO3 — CID 605274

IUPACpropan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCC(C)OC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c1-5(2)18-6(16)4-15(3)7(17)8(10,11)9(12,13)14/h5H,4H2,1-3H3
InChIKeyAGTOHDLKGGADCH-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.59
Rot. Bonds4

About propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (PubChem CID 605274) has the molecular formula C9H12F5NO3 and a molecular weight of 277.19 g/mol. Its IUPAC name is propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
PubChem CID605274
Molecular FormulaC9H12F5NO3
Molecular Weight277.19 g/mol
Exact Mass277.07
IUPAC Namepropan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCC(C)OC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c1-5(2)18-6(16)4-15(3)7(17)8(10,11)9(12,13)14/h5H,4H2,1-3H3
InChIKeyAGTOHDLKGGADCH-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sarcosine, n-heptafluorobutyryl-, isobutyl ester
CID 13743419
Sarcosine, n-pentafluoropropionyl-, hexyl ester
CID 91730511
Sarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730512
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Sarcosine, n-heptafluorobutyryl-, propyl ester
CID 91737613
Sarcosine, n-heptafluorobutyryl-, ethyl ester
CID 91737617
Sarcosine, n-heptafluorobutyryl-, pentyl ester
CID 91737639
Sarcosine, n-heptafluorobutyryl-, butyl ester
CID 91737646
Glycine, N-methyl-N-(trifluoroacetyl)-, 1-methylpentyl ester
CID 539674
Glycine, N-pentafluoropropanoyl-, isopropyl ester
CID 540148
Glycine, N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 546365
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (CID 605274) is propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is CC(C)OC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The InChIKey is AGTOHDLKGGADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO3/c1-5(2)18-6(16)4-15(3)7(17)8(10,11)9(12,13)14/h5H,4H2,1-3H3.
What are the key properties of propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate has a molecular weight of 277.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is sourced from PubChem (CID 605274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).