ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate

C10H15FO3 — CID 123370937

IUPACethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate
SMILESCCOC(=O)COC(C)=CC=C(C)F
InChIInChI=1S/C10H15FO3/c1-4-13-10(12)7-14-9(3)6-5-8(2)11/h5-6H,4,7H2,1-3H3
InChIKeyHMLXOZJVGKBSMJ-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.34
Rot. Bonds5

About ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate

ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate (PubChem CID 123370937) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate
PubChem CID123370937
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Nameethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate
SMILESCCOC(=O)COC(C)=CC=C(C)F
InChIInChI=1S/C10H15FO3/c1-4-13-10(12)7-14-9(3)6-5-8(2)11/h5-6H,4,7H2,1-3H3
InChIKeyHMLXOZJVGKBSMJ-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

bis(2-ethoxy-2-oxoethyl) (Z)-but-2-enedioate
CID 139903578
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
5-(2-ethoxy-2-oxoethoxy)hepta-2,4-dienoic acid
CID 129317620
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
(2-ethoxy-2-oxoethyl) (E)-but-2-enoate
CID 22635026
ethyl 2-(2-methylbut-2-enoxy)acetate
CID 123178116
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
CID 172843337
CID 172843337
4-O-(2-ethoxy-2-oxoethyl) 1-O-methyl (Z)-2-methylbut-2-enedioate
CID 139903712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate?
The IUPAC name of ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate (CID 123370937) is ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate.
What is the SMILES notation for ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate?
The canonical SMILES for ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate is CCOC(=O)COC(C)=CC=C(C)F.
What is the InChIKey of ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate?
The InChIKey is HMLXOZJVGKBSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO3/c1-4-13-10(12)7-14-9(3)6-5-8(2)11/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate?
ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate has a molecular weight of 202.22 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluorohexa-2,4-dien-2-yloxy)acetate is sourced from PubChem (CID 123370937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).