N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

C9H8F9NO — CID 20727727

IUPACN-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F9NO/c1-2-5(20)19-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2,(H,19,20)
InChIKeyAKQCATOODJTZGH-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.15
Rot. Bonds6

About N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (PubChem CID 20727727) has the molecular formula C9H8F9NO and a molecular weight of 317.15 g/mol. Its IUPAC name is N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
PubChem CID20727727
Molecular FormulaC9H8F9NO
Molecular Weight317.15 g/mol
Exact Mass317.05
IUPAC NameN-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F9NO/c1-2-5(20)19-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2,(H,19,20)
InChIKeyAKQCATOODJTZGH-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The IUPAC name of N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (CID 20727727) is N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.
What is the SMILES notation for N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The canonical SMILES for N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is C=CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The InChIKey is AKQCATOODJTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F9NO/c1-2-5(20)19-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2,(H,19,20).
What are the key properties of N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide has a molecular weight of 317.15 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is sourced from PubChem (CID 20727727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).