2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

C7H5F8NO3 — CID 91712743

IUPAC2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESO=C(CNC(=O)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F8NO3/c8-5(9,7(13,14)15)2-19-3(17)1-16-4(18)6(10,11)12/h1-2H2,(H,16,18)
InChIKeyCFGMCEHZRLPVKE-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.41
Rot. Bonds4

About 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 91712743) has the molecular formula C7H5F8NO3 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID91712743
Molecular FormulaC7H5F8NO3
Molecular Weight303.11 g/mol
Exact Mass303.01
IUPAC Name2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESO=C(CNC(=O)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F8NO3/c8-5(9,7(13,14)15)2-19-3(17)1-16-4(18)6(10,11)12/h1-2H2,(H,16,18)
InChIKeyCFGMCEHZRLPVKE-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 91712743) is 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is O=C(CNC(=O)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is CFGMCEHZRLPVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F8NO3/c8-5(9,7(13,14)15)2-19-3(17)1-16-4(18)6(10,11)12/h1-2H2,(H,16,18).
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 303.11 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 91712743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).