1-but-3-enoxy-2-fluorocyclopentene

C9H13FO — CID 66680623

IUPAC1-but-3-enoxy-2-fluorocyclopentene
SMILESC=CCCOC1=C(F)CCC1
InChIInChI=1S/C9H13FO/c1-2-3-7-11-9-6-4-5-8(9)10/h2H,1,3-7H2
InChIKeyFTDSSOGZFVWMKY-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.94
Rot. Bonds4

About 1-but-3-enoxy-2-fluorocyclopentene

1-but-3-enoxy-2-fluorocyclopentene (PubChem CID 66680623) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-but-3-enoxy-2-fluorocyclopentene.

Molecular Properties

Compound Name1-but-3-enoxy-2-fluorocyclopentene
PubChem CID66680623
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-but-3-enoxy-2-fluorocyclopentene
SMILESC=CCCOC1=C(F)CCC1
InChIInChI=1S/C9H13FO/c1-2-3-7-11-9-6-4-5-8(9)10/h2H,1,3-7H2
InChIKeyFTDSSOGZFVWMKY-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-but-3-enoxy-2-fluorocyclopentene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-2-fluorocyclopentene?
The IUPAC name of 1-but-3-enoxy-2-fluorocyclopentene (CID 66680623) is 1-but-3-enoxy-2-fluorocyclopentene.
What is the SMILES notation for 1-but-3-enoxy-2-fluorocyclopentene?
The canonical SMILES for 1-but-3-enoxy-2-fluorocyclopentene is C=CCCOC1=C(F)CCC1.
What is the InChIKey of 1-but-3-enoxy-2-fluorocyclopentene?
The InChIKey is FTDSSOGZFVWMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-2-3-7-11-9-6-4-5-8(9)10/h2H,1,3-7H2.
What are the key properties of 1-but-3-enoxy-2-fluorocyclopentene?
1-but-3-enoxy-2-fluorocyclopentene has a molecular weight of 156.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2-fluorocyclopentene is sourced from PubChem (CID 66680623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).