ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate

C10H11FO2 — CID 126707136

IUPACethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate
SMILESC=C(F)C1=CC=C(C(=O)OCC)C1
InChIInChI=1S/C10H11FO2/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h4-5H,2-3,6H2,1H3
InChIKeyBUMUECPYIFGWHL-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.29
Rot. Bonds3

About ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate

ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate (PubChem CID 126707136) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate
PubChem CID126707136
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Nameethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate
SMILESC=C(F)C1=CC=C(C(=O)OCC)C1
InChIInChI=1S/C10H11FO2/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h4-5H,2-3,6H2,1H3
InChIKeyBUMUECPYIFGWHL-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Berkedienolactone
CID 57379199
Ethyl cyclohexa-1,3-diene-1-carboxylate
CID 11094816
Neo-aristolactone
CID 5315198
3-[(E)-but-1-enyl]-4-propylfuran-2,5-dione
CID 171345129
5-(E)-But-2-enylidene-3-propyl-5H-furan-2-one
CID 10035170
(4Z,8Z,11S)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 101032442

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate (CID 126707136) is ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate is C=C(F)C1=CC=C(C(=O)OCC)C1.
What is the InChIKey of ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate?
The InChIKey is BUMUECPYIFGWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h4-5H,2-3,6H2,1H3.
What are the key properties of ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate?
ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate has a molecular weight of 182.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-fluoroethenyl)cyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 126707136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).