2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide

C14H10F15NO — CID 123273742

IUPAC2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide
SMILESC=CCNC(=O)C(F)(C(F)C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F15NO/c1-3-5-30-7(31)8(16,6(15)4-2)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-4,6H,1-2,5H2,(H,30,31)
InChIKeyBOPQVUWIVUDYQZ-UHFFFAOYSA-N
MW493.21 g/mol
LogP5.26
Rot. Bonds10

About 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide

2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide (PubChem CID 123273742) has the molecular formula C14H10F15NO and a molecular weight of 493.21 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide
PubChem CID123273742
Molecular FormulaC14H10F15NO
Molecular Weight493.21 g/mol
Exact Mass493.05
IUPAC Name2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide
SMILESC=CCNC(=O)C(F)(C(F)C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F15NO/c1-3-5-30-7(31)8(16,6(15)4-2)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-4,6H,1-2,5H2,(H,30,31)
InChIKeyBOPQVUWIVUDYQZ-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.21
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide (CID 123273742) is 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide is C=CCNC(=O)C(F)(C(F)C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide?
The InChIKey is BOPQVUWIVUDYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F15NO/c1-3-5-30-7(31)8(16,6(15)4-2)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-4,6H,1-2,5H2,(H,30,31).
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide?
2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide has a molecular weight of 493.21 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide is sourced from PubChem (CID 123273742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).