ethyl 1-fluorocyclopent-3-ene-1-carboxylate

C8H11FO2 — CID 45090301

IUPACethyl 1-fluorocyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(F)CC=CC1
InChIInChI=1S/C8H11FO2/c1-2-11-7(10)8(9)5-3-4-6-8/h3-4H,2,5-6H2,1H3
InChIKeyTVYCRIKBDUERED-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.61
Rot. Bonds2

About ethyl 1-fluorocyclopent-3-ene-1-carboxylate

ethyl 1-fluorocyclopent-3-ene-1-carboxylate (PubChem CID 45090301) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is ethyl 1-fluorocyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluorocyclopent-3-ene-1-carboxylate
PubChem CID45090301
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Nameethyl 1-fluorocyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(F)CC=CC1
InChIInChI=1S/C8H11FO2/c1-2-11-7(10)8(9)5-3-4-6-8/h3-4H,2,5-6H2,1H3
InChIKeyTVYCRIKBDUERED-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 1-fluorocyclopent-3-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
diethyl cyclobut-2-ene-1,1-dicarboxylate
CID 141086689
diethyl cyclopent-3-ene-1,1-dicarboxylate;diethyl propanedioate
CID 159778737
ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate
CID 177209400
ethyl 1-bromocyclobut-2-ene-1-carboxylate
CID 87711721
ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
CID 92980111
ethyl (1S)-6,6-difluoro-1-(4-methoxyanilino)cyclohex-3-ene-1-carboxylate
CID 101409765
ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
CID 10678846
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate
CID 58654222
ethyl (3E,11E)-1-methyl-15-oxocyclopentadeca-3,11-diene-1-carboxylate
CID 131722424
cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate
CID 102131963

Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluorocyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-fluorocyclopent-3-ene-1-carboxylate (CID 45090301) is ethyl 1-fluorocyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-fluorocyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-fluorocyclopent-3-ene-1-carboxylate is CCOC(=O)C1(F)CC=CC1.
What is the InChIKey of ethyl 1-fluorocyclopent-3-ene-1-carboxylate?
The InChIKey is TVYCRIKBDUERED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2/c1-2-11-7(10)8(9)5-3-4-6-8/h3-4H,2,5-6H2,1H3.
What are the key properties of ethyl 1-fluorocyclopent-3-ene-1-carboxylate?
ethyl 1-fluorocyclopent-3-ene-1-carboxylate has a molecular weight of 158.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluorocyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 45090301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).