3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate

C9H7F10NO3 — CID 91726860

IUPAC3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(NCCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F10NO3/c10-6(11,8(14,15)16)4(21)20-2-1-3-23-5(22)7(12,13)9(17,18)19/h1-3H2,(H,20,21)
InChIKeyMZRZYRSHHYXUFP-UHFFFAOYSA-N
MW367.14 g/mol
LogP2.43
Rot. Bonds6

About 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate

3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91726860) has the molecular formula C9H7F10NO3 and a molecular weight of 367.14 g/mol. Its IUPAC name is 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91726860
Molecular FormulaC9H7F10NO3
Molecular Weight367.14 g/mol
Exact Mass367.03
IUPAC Name3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(NCCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F10NO3/c10-6(11,8(14,15)16)4(21)20-2-1-3-23-5(22)7(12,13)9(17,18)19/h1-3H2,(H,20,21)
InChIKeyMZRZYRSHHYXUFP-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate (CID 91726860) is 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate is O=C(NCCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is MZRZYRSHHYXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F10NO3/c10-6(11,8(14,15)16)4(21)20-2-1-3-23-5(22)7(12,13)9(17,18)19/h1-3H2,(H,20,21).
What are the key properties of 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate?
3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 367.14 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,3-pentafluoropropanoylamino)propyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91726860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).