ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate

C9H13FO4 — CID 15698202

IUPACethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate
SMILESCCOC(=O)/C(F)=C/CC1OCCO1
InChIInChI=1S/C9H13FO4/c1-2-12-9(11)7(10)3-4-8-13-5-6-14-8/h3,8H,2,4-6H2,1H3/b7-3-
InChIKeyFNEZKHRFKIIAIZ-CLTKARDFSA-N
MW204.20 g/mol
LogP1.17
Rot. Bonds4

About ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate

ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate (PubChem CID 15698202) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate
PubChem CID15698202
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Nameethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate
SMILESCCOC(=O)/C(F)=C/CC1OCCO1
InChIInChI=1S/C9H13FO4/c1-2-12-9(11)7(10)3-4-8-13-5-6-14-8/h3,8H,2,4-6H2,1H3/b7-3-
InChIKeyFNEZKHRFKIIAIZ-CLTKARDFSA-N
XLogP1.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate?
The IUPAC name of ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate (CID 15698202) is ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate.
What is the SMILES notation for ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate?
The canonical SMILES for ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate is CCOC(=O)/C(F)=C/CC1OCCO1.
What is the InChIKey of ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate?
The InChIKey is FNEZKHRFKIIAIZ-CLTKARDFSA-N. The full InChI is InChI=1S/C9H13FO4/c1-2-12-9(11)7(10)3-4-8-13-5-6-14-8/h3,8H,2,4-6H2,1H3/b7-3-.
What are the key properties of ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate?
ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate has a molecular weight of 204.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-(1,3-dioxolan-2-yl)-2-fluorobut-2-enoate is sourced from PubChem (CID 15698202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).