N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide

C8H9F6NO2 — CID 131724606

IUPACN-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-2-5(16)15-3-4-17-8(13,14)6(9)7(10,11)12/h2,6H,1,3-4H2,(H,15,16)
InChIKeyBSLIBONQHZJKJU-UHFFFAOYSA-N
MW265.15 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide

N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide (PubChem CID 131724606) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide
PubChem CID131724606
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC NameN-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-2-5(16)15-3-4-17-8(13,14)6(9)7(10,11)12/h2,6H,1,3-4H2,(H,15,16)
InChIKeyBSLIBONQHZJKJU-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide (CID 131724606) is N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide is C=CC(=O)NCCOC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide?
The InChIKey is BSLIBONQHZJKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO2/c1-2-5(16)15-3-4-17-8(13,14)6(9)7(10,11)12/h2,6H,1,3-4H2,(H,15,16).
What are the key properties of N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide?
N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide has a molecular weight of 265.15 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 131724606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).