ethyl (E)-2-fluorodec-2-enoate

C12H21FO2 — CID 15446606

IUPACethyl (E)-2-fluorodec-2-enoate
SMILESCCCCCCC/C=C(/F)C(=O)OCC
InChIInChI=1S/C12H21FO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h10H,3-9H2,1-2H3/b11-10+
InChIKeySIZGHLSOIBJXTB-ZHACJKMWSA-N
MW216.30 g/mol
LogP3.76
Rot. Bonds8

About ethyl (E)-2-fluorodec-2-enoate

ethyl (E)-2-fluorodec-2-enoate (PubChem CID 15446606) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is ethyl (E)-2-fluorodec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluorodec-2-enoate
PubChem CID15446606
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Nameethyl (E)-2-fluorodec-2-enoate
SMILESCCCCCCC/C=C(/F)C(=O)OCC
InChIInChI=1S/C12H21FO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h10H,3-9H2,1-2H3/b11-10+
InChIKeySIZGHLSOIBJXTB-ZHACJKMWSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-fluorodec-2-enoate?
The IUPAC name of ethyl (E)-2-fluorodec-2-enoate (CID 15446606) is ethyl (E)-2-fluorodec-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluorodec-2-enoate?
The canonical SMILES for ethyl (E)-2-fluorodec-2-enoate is CCCCCCC/C=C(/F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-fluorodec-2-enoate?
The InChIKey is SIZGHLSOIBJXTB-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H21FO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h10H,3-9H2,1-2H3/b11-10+.
What are the key properties of ethyl (E)-2-fluorodec-2-enoate?
ethyl (E)-2-fluorodec-2-enoate has a molecular weight of 216.30 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-fluorodec-2-enoate is sourced from PubChem (CID 15446606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).