undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate

C15H21F7O2 — CID 543368

IUPACundec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESC=CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F7O2/c1-2-3-4-5-6-7-8-9-10-11-24-12(23)13(16,17)14(18,19)15(20,21)22/h2H,1,3-11H2
InChIKeyQOKJVXCOBBSDFT-UHFFFAOYSA-N
MW366.32 g/mol
LogP5.67
Rot. Bonds12

About undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate

undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 543368) has the molecular formula C15H21F7O2 and a molecular weight of 366.32 g/mol. Its IUPAC name is undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Nameundec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID543368
Molecular FormulaC15H21F7O2
Molecular Weight366.32 g/mol
Exact Mass366.14
IUPAC Nameundec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESC=CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F7O2/c1-2-3-4-5-6-7-8-9-10-11-24-12(23)13(16,17)14(18,19)15(20,21)22/h2H,1,3-11H2
InChIKeyQOKJVXCOBBSDFT-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 543368) is undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate is C=CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is QOKJVXCOBBSDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F7O2/c1-2-3-4-5-6-7-8-9-10-11-24-12(23)13(16,17)14(18,19)15(20,21)22/h2H,1,3-11H2.
What are the key properties of undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate?
undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 366.32 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 543368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).