ethyl (9R)-9-chloro-9-fluorononanoate

C11H20ClFO2 — CID 125473111

IUPACethyl (9R)-9-chloro-9-fluorononanoate
SMILESCCOC(=O)CCCCCCC[C@H](F)Cl
InChIInChI=1S/C11H20ClFO2/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyWJFKGEYDGXFMCH-JTQLQIEISA-N
MW238.73 g/mol
LogP3.81
Rot. Bonds9

About ethyl (9R)-9-chloro-9-fluorononanoate

ethyl (9R)-9-chloro-9-fluorononanoate (PubChem CID 125473111) has the molecular formula C11H20ClFO2 and a molecular weight of 238.73 g/mol. Its IUPAC name is ethyl (9R)-9-chloro-9-fluorononanoate.

Molecular Properties

Compound Nameethyl (9R)-9-chloro-9-fluorononanoate
PubChem CID125473111
Molecular FormulaC11H20ClFO2
Molecular Weight238.73 g/mol
Exact Mass238.11
IUPAC Nameethyl (9R)-9-chloro-9-fluorononanoate
SMILESCCOC(=O)CCCCCCC[C@H](F)Cl
InChIInChI=1S/C11H20ClFO2/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyWJFKGEYDGXFMCH-JTQLQIEISA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.73
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8,8-dichlorooctanoate
CID 141168236
diethyl icosanedioate
CID 5058538
ethyl 6-bromo-6-chlorohexanoate
CID 126750631
ethyl 17-methyloctadecanoate
CID 122524767
diethyl hexanedioate
CID 160747628
ethyl 6,8-dichlorooctanoate
CID 14053
diethyl 4-methylhexadecanedioate
CID 87116556
diethyl 2-methylicosanedioate
CID 87117877
ethyl 6-pentylpentadecanoate
CID 86165388
diethyl 2-methyltridecanedioate
CID 87116359
diethyl 4-methylpentadecanedioate
CID 87116582
sodium;diethyl decanedioate;hydride
CID 173076435

Frequently Asked Questions

What is the IUPAC name of ethyl (9R)-9-chloro-9-fluorononanoate?
The IUPAC name of ethyl (9R)-9-chloro-9-fluorononanoate (CID 125473111) is ethyl (9R)-9-chloro-9-fluorononanoate.
What is the SMILES notation for ethyl (9R)-9-chloro-9-fluorononanoate?
The canonical SMILES for ethyl (9R)-9-chloro-9-fluorononanoate is CCOC(=O)CCCCCCC[C@H](F)Cl.
What is the InChIKey of ethyl (9R)-9-chloro-9-fluorononanoate?
The InChIKey is WJFKGEYDGXFMCH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20ClFO2/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (9R)-9-chloro-9-fluorononanoate?
ethyl (9R)-9-chloro-9-fluorononanoate has a molecular weight of 238.73 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9R)-9-chloro-9-fluorononanoate is sourced from PubChem (CID 125473111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).