1,1,1,2,2-pentafluorotetradec-13-en-6-one

C14H21F5O — CID 22033192

IUPAC1,1,1,2,2-pentafluorotetradec-13-en-6-one
SMILESC=CCCCCCCC(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F5O/c1-2-3-4-5-6-7-9-12(20)10-8-11-13(15,16)14(17,18)19/h2H,1,3-11H2
InChIKeyNGGDNKVTTLZXJF-UHFFFAOYSA-N
MW300.31 g/mol
LogP5.45
Rot. Bonds11

About 1,1,1,2,2-pentafluorotetradec-13-en-6-one

1,1,1,2,2-pentafluorotetradec-13-en-6-one (PubChem CID 22033192) has the molecular formula C14H21F5O and a molecular weight of 300.31 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluorotetradec-13-en-6-one.

Molecular Properties

Compound Name1,1,1,2,2-pentafluorotetradec-13-en-6-one
PubChem CID22033192
Molecular FormulaC14H21F5O
Molecular Weight300.31 g/mol
Exact Mass300.15
IUPAC Name1,1,1,2,2-pentafluorotetradec-13-en-6-one
SMILESC=CCCCCCCC(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F5O/c1-2-3-4-5-6-7-9-12(20)10-8-11-13(15,16)14(17,18)19/h2H,1,3-11H2
InChIKeyNGGDNKVTTLZXJF-UHFFFAOYSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.31
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1,1,1,2,2-pentafluorotetradec-13-en-6-one?
The IUPAC name of 1,1,1,2,2-pentafluorotetradec-13-en-6-one (CID 22033192) is 1,1,1,2,2-pentafluorotetradec-13-en-6-one.
What is the SMILES notation for 1,1,1,2,2-pentafluorotetradec-13-en-6-one?
The canonical SMILES for 1,1,1,2,2-pentafluorotetradec-13-en-6-one is C=CCCCCCCC(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluorotetradec-13-en-6-one?
The InChIKey is NGGDNKVTTLZXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F5O/c1-2-3-4-5-6-7-9-12(20)10-8-11-13(15,16)14(17,18)19/h2H,1,3-11H2.
What are the key properties of 1,1,1,2,2-pentafluorotetradec-13-en-6-one?
1,1,1,2,2-pentafluorotetradec-13-en-6-one has a molecular weight of 300.31 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluorotetradec-13-en-6-one is sourced from PubChem (CID 22033192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).