ethyl 10-fluoroundec-10-enoate

C13H23FO2 — CID 11791034

IUPACethyl 10-fluoroundec-10-enoate
SMILESC=C(F)CCCCCCCCC(=O)OCC
InChIInChI=1S/C13H23FO2/c1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14/h2-11H2,1H3
InChIKeyBVKPZQOWYSUVBT-UHFFFAOYSA-N
MW230.32 g/mol
LogP4.15
Rot. Bonds10

About ethyl 10-fluoroundec-10-enoate

ethyl 10-fluoroundec-10-enoate (PubChem CID 11791034) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is ethyl 10-fluoroundec-10-enoate.

Molecular Properties

Compound Nameethyl 10-fluoroundec-10-enoate
PubChem CID11791034
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Nameethyl 10-fluoroundec-10-enoate
SMILESC=C(F)CCCCCCCCC(=O)OCC
InChIInChI=1S/C13H23FO2/c1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14/h2-11H2,1H3
InChIKeyBVKPZQOWYSUVBT-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 10-fluoroundec-10-enoate 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

diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
diethyl 6-methylideneundecanedioate
CID 57123077
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 18-fluorooctadecanoate
CID 155894246
ethyl 6-fluorohexanoate
CID 11518
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl decanoate;methanol
CID 161391102
23-ethoxy-23-oxotricosanoic acid
CID 67326593

Frequently Asked Questions

What is the IUPAC name of ethyl 10-fluoroundec-10-enoate?
The IUPAC name of ethyl 10-fluoroundec-10-enoate (CID 11791034) is ethyl 10-fluoroundec-10-enoate.
What is the SMILES notation for ethyl 10-fluoroundec-10-enoate?
The canonical SMILES for ethyl 10-fluoroundec-10-enoate is C=C(F)CCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl 10-fluoroundec-10-enoate?
The InChIKey is BVKPZQOWYSUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2/c1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14/h2-11H2,1H3.
What are the key properties of ethyl 10-fluoroundec-10-enoate?
ethyl 10-fluoroundec-10-enoate has a molecular weight of 230.32 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-fluoroundec-10-enoate is sourced from PubChem (CID 11791034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).