undec-10-enyl 2,2,3,3,3-pentafluoropropanoate

C14H21F5O2 — CID 543371

IUPACundec-10-enyl 2,2,3,3,3-pentafluoropropanoate
SMILESC=CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F5O2/c1-2-3-4-5-6-7-8-9-10-11-21-12(20)13(15,16)14(17,18)19/h2H,1,3-11H2
InChIKeyGVTFOMSGCRSQGI-UHFFFAOYSA-N
MW316.31 g/mol
LogP5.03
Rot. Bonds11

About undec-10-enyl 2,2,3,3,3-pentafluoropropanoate

undec-10-enyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 543371) has the molecular formula C14H21F5O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is undec-10-enyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Nameundec-10-enyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID543371
Molecular FormulaC14H21F5O2
Molecular Weight316.31 g/mol
Exact Mass316.15
IUPAC Nameundec-10-enyl 2,2,3,3,3-pentafluoropropanoate
SMILESC=CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F5O2/c1-2-3-4-5-6-7-8-9-10-11-21-12(20)13(15,16)14(17,18)19/h2H,1,3-11H2
InChIKeyGVTFOMSGCRSQGI-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.31
LogP ≤ 55.03
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 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of undec-10-enyl 2,2,3,3,3-pentafluoropropanoate (CID 543371) is undec-10-enyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for undec-10-enyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for undec-10-enyl 2,2,3,3,3-pentafluoropropanoate is C=CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of undec-10-enyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is GVTFOMSGCRSQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F5O2/c1-2-3-4-5-6-7-8-9-10-11-21-12(20)13(15,16)14(17,18)19/h2H,1,3-11H2.
What are the key properties of undec-10-enyl 2,2,3,3,3-pentafluoropropanoate?
undec-10-enyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 316.31 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 543371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).