2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide

C11H6F15NO — CID 12507572

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6F15NO/c1-2-3-27-4(28)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2,(H,27,28)
InChIKeyLSCYAZBWKCWWHH-UHFFFAOYSA-N
MW453.15 g/mol
LogP4.66
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide (PubChem CID 12507572) has the molecular formula C11H6F15NO and a molecular weight of 453.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide
PubChem CID12507572
Molecular FormulaC11H6F15NO
Molecular Weight453.15 g/mol
Exact Mass453.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6F15NO/c1-2-3-27-4(28)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2,(H,27,28)
InChIKeyLSCYAZBWKCWWHH-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.15
LogP ≤ 54.66
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'}

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide with MolForge

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Related Compounds

N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 71325636
N-Allylperfluorononanamide
CID 4077980
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)prop-2-enamide
CID 100946211
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanamide
CID 101752061
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 5215819
N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide
CID 18964642
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)prop-2-enamide
CID 21020713
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-nonadecafluoro-N,N-bis(prop-2-enyl)undecanamide
CID 21354916
N-allyl nonadecafluoro-1-decanamide
CID 54558578
N-[(E)-4,4,4-trifluorobut-2-enyl]octanamide
CID 71534603
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-di(prop-2-en-1-yl)octanamide
CID 87126796
N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-N-prop-2-enyloctanamide
CID 88025252

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide (CID 12507572) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide is C=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide?
The InChIKey is LSCYAZBWKCWWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F15NO/c1-2-3-27-4(28)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2,(H,27,28).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide has a molecular weight of 453.15 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-prop-2-enyloctanamide is sourced from PubChem (CID 12507572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).