N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide

C8H6F9NO — CID 59464907

IUPACN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F9NO/c1-2-4(19)18-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2,(H,18,19)
InChIKeyYZQCUJJWVVXPDV-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.76
Rot. Bonds5

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

N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide (PubChem CID 59464907) has the molecular formula C8H6F9NO and a molecular weight of 303.12 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
PubChem CID59464907
Molecular FormulaC8H6F9NO
Molecular Weight303.12 g/mol
Exact Mass303.03
IUPAC NameN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F9NO/c1-2-4(19)18-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2,(H,18,19)
InChIKeyYZQCUJJWVVXPDV-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.76
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-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The IUPAC name of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide (CID 59464907) is N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide.
What is the SMILES notation for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The canonical SMILES for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide is C=CC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The InChIKey is YZQCUJJWVVXPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F9NO/c1-2-4(19)18-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2,(H,18,19).
What are the key properties of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide has a molecular weight of 303.12 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide is sourced from PubChem (CID 59464907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).