2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide

C11H11F8NO2 — CID 175098966

IUPAC2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide
SMILESC=CCN(C)C(=O)C(C)(F)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F8NO2/c1-4-5-20(3)7(22)8(2,12)6(21)9(13,14)10(15,16)11(17,18)19/h4H,1,5H2,2-3H3
InChIKeyPGNGEFRMEQDGHL-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.76
Rot. Bonds6

About 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide

2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide (PubChem CID 175098966) has the molecular formula C11H11F8NO2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide
PubChem CID175098966
Molecular FormulaC11H11F8NO2
Molecular Weight341.20 g/mol
Exact Mass341.07
IUPAC Name2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide
SMILESC=CCN(C)C(=O)C(C)(F)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F8NO2/c1-4-5-20(3)7(22)8(2,12)6(21)9(13,14)10(15,16)11(17,18)19/h4H,1,5H2,2-3H3
InChIKeyPGNGEFRMEQDGHL-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide?
The IUPAC name of 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide (CID 175098966) is 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide.
What is the SMILES notation for 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide?
The canonical SMILES for 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide is C=CCN(C)C(=O)C(C)(F)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide?
The InChIKey is PGNGEFRMEQDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F8NO2/c1-4-5-20(3)7(22)8(2,12)6(21)9(13,14)10(15,16)11(17,18)19/h4H,1,5H2,2-3H3.
What are the key properties of 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide?
2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide has a molecular weight of 341.20 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5,6,6,6-octafluoro-N,2-dimethyl-3-oxo-N-prop-2-enylhexanamide is sourced from PubChem (CID 175098966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).