N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide

C11H4F17NO — CID 18679918

IUPACN-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide
SMILESC=CC(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F17NO/c1-2-3(30)29-11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H,1H2,(H,29,30)
InChIKeyUZVONGBVDAVQSO-UHFFFAOYSA-N
MW489.13 g/mol
LogP5.26
Rot. Bonds8

About N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide

N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide (PubChem CID 18679918) has the molecular formula C11H4F17NO and a molecular weight of 489.13 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide
PubChem CID18679918
Molecular FormulaC11H4F17NO
Molecular Weight489.13 g/mol
Exact Mass489.00
IUPAC NameN-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide
SMILESC=CC(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F17NO/c1-2-3(30)29-11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H,1H2,(H,29,30)
InChIKeyUZVONGBVDAVQSO-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.13
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
The IUPAC name of N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide (CID 18679918) is N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide.
What is the SMILES notation for N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
The canonical SMILES for N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide is C=CC(=O)NC(F)(F)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 N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
The InChIKey is UZVONGBVDAVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F17NO/c1-2-3(30)29-11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H,1H2,(H,29,30).
What are the key properties of N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide has a molecular weight of 489.13 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide is sourced from PubChem (CID 18679918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).