2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide

C9H5F10NO2 — CID 91733201

IUPAC2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F10NO2/c1-2-3-20(4(21)6(10,11)8(14,15)16)5(22)7(12,13)9(17,18)19/h2H,1,3H2
InChIKeyRMFCXIGGISTQRR-UHFFFAOYSA-N
MW349.12 g/mol
LogP2.92
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide

2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide (PubChem CID 91733201) has the molecular formula C9H5F10NO2 and a molecular weight of 349.12 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide
PubChem CID91733201
Molecular FormulaC9H5F10NO2
Molecular Weight349.12 g/mol
Exact Mass349.02
IUPAC Name2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F10NO2/c1-2-3-20(4(21)6(10,11)8(14,15)16)5(22)7(12,13)9(17,18)19/h2H,1,3H2
InChIKeyRMFCXIGGISTQRR-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide (CID 91733201) is 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide is C=CCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide?
The InChIKey is RMFCXIGGISTQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F10NO2/c1-2-3-20(4(21)6(10,11)8(14,15)16)5(22)7(12,13)9(17,18)19/h2H,1,3H2.
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide?
2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide has a molecular weight of 349.12 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 91733201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).