N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide

C8H8F7NO — CID 172797852

IUPACN-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO/c1-4(2)5(17)16(3)8(14,15)6(9,10)7(11,12)13/h1H2,2-3H3
InChIKeyQLKQPOIPOMRHDI-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.81
Rot. Bonds3

About N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide

N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide (PubChem CID 172797852) has the molecular formula C8H8F7NO and a molecular weight of 267.14 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide
PubChem CID172797852
Molecular FormulaC8H8F7NO
Molecular Weight267.14 g/mol
Exact Mass267.05
IUPAC NameN-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO/c1-4(2)5(17)16(3)8(14,15)6(9,10)7(11,12)13/h1H2,2-3H3
InChIKeyQLKQPOIPOMRHDI-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
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-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide (CID 172797852) is N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide?
The InChIKey is QLKQPOIPOMRHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO/c1-4(2)5(17)16(3)8(14,15)6(9,10)7(11,12)13/h1H2,2-3H3.
What are the key properties of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide?
N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide has a molecular weight of 267.14 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 172797852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).