ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate

C10H13F4NO3 — CID 103733224

IUPACethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C(F)(F)C(F)F)C1CC1
InChIInChI=1S/C10H13F4NO3/c1-2-18-7(16)5-15(6-3-4-6)9(17)10(13,14)8(11)12/h6,8H,2-5H2,1H3
InChIKeyRYSVYVBSBPEEJC-UHFFFAOYSA-N
MW271.21 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate

ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate (PubChem CID 103733224) has the molecular formula C10H13F4NO3 and a molecular weight of 271.21 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate
PubChem CID103733224
Molecular FormulaC10H13F4NO3
Molecular Weight271.21 g/mol
Exact Mass271.08
IUPAC Nameethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C(F)(F)C(F)F)C1CC1
InChIInChI=1S/C10H13F4NO3/c1-2-18-7(16)5-15(6-3-4-6)9(17)10(13,14)8(11)12/h6,8H,2-5H2,1H3
InChIKeyRYSVYVBSBPEEJC-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 51.44
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

ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
CID 113307595
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ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-cyclopropylamino]acetate
CID 61164395
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
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ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
CID 79345308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate (CID 103733224) is ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate is CCOC(=O)CN(C(=O)C(F)(F)C(F)F)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate?
The InChIKey is RYSVYVBSBPEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO3/c1-2-18-7(16)5-15(6-3-4-6)9(17)10(13,14)8(11)12/h6,8H,2-5H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate?
ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate has a molecular weight of 271.21 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate is sourced from PubChem (CID 103733224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).