ethyl 6-fluorohexanoate

C8H15FO2 — CID 11518

IUPACethyl 6-fluorohexanoate
SMILESCCOC(=O)CCCCCF
InChIInChI=1S/C8H15FO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChIKeyARWCSVYFRYFFPQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.08
Rot. Bonds6

About ethyl 6-fluorohexanoate

ethyl 6-fluorohexanoate (PubChem CID 11518) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is ethyl 6-fluorohexanoate.

Molecular Properties

Compound Nameethyl 6-fluorohexanoate
PubChem CID11518
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Nameethyl 6-fluorohexanoate
SMILESCCOC(=O)CCCCCF
InChIInChI=1S/C8H15FO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChIKeyARWCSVYFRYFFPQ-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 18-fluorooctadecanoate
CID 155894246
diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluorohexanoate?
The IUPAC name of ethyl 6-fluorohexanoate (CID 11518) is ethyl 6-fluorohexanoate.
What is the SMILES notation for ethyl 6-fluorohexanoate?
The canonical SMILES for ethyl 6-fluorohexanoate is CCOC(=O)CCCCCF.
What is the InChIKey of ethyl 6-fluorohexanoate?
The InChIKey is ARWCSVYFRYFFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3.
What are the key properties of ethyl 6-fluorohexanoate?
ethyl 6-fluorohexanoate has a molecular weight of 162.20 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluorohexanoate is sourced from PubChem (CID 11518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).