2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide

C14H18F9NO — CID 59779563

IUPAC2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H18F9NO/c1-9(2)10(25)24-8-6-4-3-5-7-11(15,16)12(17,18)13(19,20)14(21,22)23/h1,3-8H2,2H3,(H,24,25)
InChIKeyQMOSPZVMHHUPAD-UHFFFAOYSA-N
MW387.29 g/mol
LogP5.10
Rot. Bonds10

About 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide

2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide (PubChem CID 59779563) has the molecular formula C14H18F9NO and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide
PubChem CID59779563
Molecular FormulaC14H18F9NO
Molecular Weight387.29 g/mol
Exact Mass387.12
IUPAC Name2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H18F9NO/c1-9(2)10(25)24-8-6-4-3-5-7-11(15,16)12(17,18)13(19,20)14(21,22)23/h1,3-8H2,2H3,(H,24,25)
InChIKeyQMOSPZVMHHUPAD-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.29
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide (CID 59779563) is 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide is C=C(C)C(=O)NCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide?
The InChIKey is QMOSPZVMHHUPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F9NO/c1-9(2)10(25)24-8-6-4-3-5-7-11(15,16)12(17,18)13(19,20)14(21,22)23/h1,3-8H2,2H3,(H,24,25).
What are the key properties of 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide?
2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide has a molecular weight of 387.29 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide is sourced from PubChem (CID 59779563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).