ethyl (E)-4-ethyl-2-fluorohex-2-enoate

C10H17FO2 — CID 11052397

IUPACethyl (E)-4-ethyl-2-fluorohex-2-enoate
SMILESCCOC(=O)/C(F)=C\C(CC)CC
InChIInChI=1S/C10H17FO2/c1-4-8(5-2)7-9(11)10(12)13-6-3/h7-8H,4-6H2,1-3H3/b9-7+
InChIKeyUILBCNTTZJCAGK-VQHVLOKHSA-N
MW188.24 g/mol
LogP2.84
Rot. Bonds5

About ethyl (E)-4-ethyl-2-fluorohex-2-enoate

ethyl (E)-4-ethyl-2-fluorohex-2-enoate (PubChem CID 11052397) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is ethyl (E)-4-ethyl-2-fluorohex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-ethyl-2-fluorohex-2-enoate
PubChem CID11052397
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Nameethyl (E)-4-ethyl-2-fluorohex-2-enoate
SMILESCCOC(=O)/C(F)=C\C(CC)CC
InChIInChI=1S/C10H17FO2/c1-4-8(5-2)7-9(11)10(12)13-6-3/h7-8H,4-6H2,1-3H3/b9-7+
InChIKeyUILBCNTTZJCAGK-VQHVLOKHSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-ethyl-2-fluorohex-2-enoate?
The IUPAC name of ethyl (E)-4-ethyl-2-fluorohex-2-enoate (CID 11052397) is ethyl (E)-4-ethyl-2-fluorohex-2-enoate.
What is the SMILES notation for ethyl (E)-4-ethyl-2-fluorohex-2-enoate?
The canonical SMILES for ethyl (E)-4-ethyl-2-fluorohex-2-enoate is CCOC(=O)/C(F)=C\C(CC)CC.
What is the InChIKey of ethyl (E)-4-ethyl-2-fluorohex-2-enoate?
The InChIKey is UILBCNTTZJCAGK-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17FO2/c1-4-8(5-2)7-9(11)10(12)13-6-3/h7-8H,4-6H2,1-3H3/b9-7+.
What are the key properties of ethyl (E)-4-ethyl-2-fluorohex-2-enoate?
ethyl (E)-4-ethyl-2-fluorohex-2-enoate has a molecular weight of 188.24 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-ethyl-2-fluorohex-2-enoate is sourced from PubChem (CID 11052397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).