ethyl (E)-2,3-difluorooct-2-enoate

C10H16F2O2 — CID 101074943

IUPACethyl (E)-2,3-difluorooct-2-enoate
SMILESCCCCC/C(F)=C(\F)C(=O)OCC
InChIInChI=1S/C10H16F2O2/c1-3-5-6-7-8(11)9(12)10(13)14-4-2/h3-7H2,1-2H3/b9-8+
InChIKeyRSGYJTVQOHZRBN-CMDGGOBGSA-N
MW206.23 g/mol
LogP3.28
Rot. Bonds6

About ethyl (E)-2,3-difluorooct-2-enoate

ethyl (E)-2,3-difluorooct-2-enoate (PubChem CID 101074943) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is ethyl (E)-2,3-difluorooct-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2,3-difluorooct-2-enoate
PubChem CID101074943
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Nameethyl (E)-2,3-difluorooct-2-enoate
SMILESCCCCC/C(F)=C(\F)C(=O)OCC
InChIInChI=1S/C10H16F2O2/c1-3-5-6-7-8(11)9(12)10(13)14-4-2/h3-7H2,1-2H3/b9-8+
InChIKeyRSGYJTVQOHZRBN-CMDGGOBGSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.28
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)-2,3-difluorooct-2-enoate?
The IUPAC name of ethyl (E)-2,3-difluorooct-2-enoate (CID 101074943) is ethyl (E)-2,3-difluorooct-2-enoate.
What is the SMILES notation for ethyl (E)-2,3-difluorooct-2-enoate?
The canonical SMILES for ethyl (E)-2,3-difluorooct-2-enoate is CCCCC/C(F)=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2,3-difluorooct-2-enoate?
The InChIKey is RSGYJTVQOHZRBN-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-3-5-6-7-8(11)9(12)10(13)14-4-2/h3-7H2,1-2H3/b9-8+.
What are the key properties of ethyl (E)-2,3-difluorooct-2-enoate?
ethyl (E)-2,3-difluorooct-2-enoate has a molecular weight of 206.23 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2,3-difluorooct-2-enoate is sourced from PubChem (CID 101074943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).