N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide

C16H27F4NO — CID 78078417

IUPACN-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide
SMILESCCCCCCCCCC=C(F)CC(NC(C)=O)C(F)(F)F
InChIInChI=1S/C16H27F4NO/c1-3-4-5-6-7-8-9-10-11-14(17)12-15(16(18,19)20)21-13(2)22/h11,15H,3-10,12H2,1-2H3,(H,21,22)
InChIKeyKASGLLIYHOODDC-UHFFFAOYSA-N
MW325.39 g/mol
LogP5.44
Rot. Bonds11

About N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide

N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide (PubChem CID 78078417) has the molecular formula C16H27F4NO and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide
PubChem CID78078417
Molecular FormulaC16H27F4NO
Molecular Weight325.39 g/mol
Exact Mass325.20
IUPAC NameN-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide
SMILESCCCCCCCCCC=C(F)CC(NC(C)=O)C(F)(F)F
InChIInChI=1S/C16H27F4NO/c1-3-4-5-6-7-8-9-10-11-14(17)12-15(16(18,19)20)21-13(2)22/h11,15H,3-10,12H2,1-2H3,(H,21,22)
InChIKeyKASGLLIYHOODDC-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide?
The IUPAC name of N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide (CID 78078417) is N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide.
What is the SMILES notation for N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide?
The canonical SMILES for N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide is CCCCCCCCCC=C(F)CC(NC(C)=O)C(F)(F)F.
What is the InChIKey of N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide?
The InChIKey is KASGLLIYHOODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F4NO/c1-3-4-5-6-7-8-9-10-11-14(17)12-15(16(18,19)20)21-13(2)22/h11,15H,3-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide?
N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,4-tetrafluorotetradec-4-en-2-yl)acetamide is sourced from PubChem (CID 78078417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).