2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide

C14H10F15NO — CID 87126796

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide
SMILESC=CCN(CC=C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F15NO/c1-3-5-30(6-4-2)7(31)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-4H,1-2,5-6H2
InChIKeyHSAKKSWOPOSKTK-UHFFFAOYSA-N
MW493.21 g/mol
LogP5.56
Rot. Bonds10

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide (PubChem CID 87126796) has the molecular formula C14H10F15NO and a molecular weight of 493.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide
PubChem CID87126796
Molecular FormulaC14H10F15NO
Molecular Weight493.21 g/mol
Exact Mass493.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide
SMILESC=CCN(CC=C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F15NO/c1-3-5-30(6-4-2)7(31)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-4H,1-2,5-6H2
InChIKeyHSAKKSWOPOSKTK-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.21
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide (CID 87126796) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide is C=CCN(CC=C)C(=O)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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide?
The InChIKey is HSAKKSWOPOSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F15NO/c1-3-5-30(6-4-2)7(31)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-4H,1-2,5-6H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide has a molecular weight of 493.21 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(prop-2-enyl)octanamide is sourced from PubChem (CID 87126796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).