methyl 2-fluorododecanoate

C13H25FO2 — CID 86171800

IUPACmethyl 2-fluorododecanoate
SMILESCCCCCCCCCCC(F)C(=O)OC
InChIInChI=1S/C13H25FO2/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12H,3-11H2,1-2H3
InChIKeySUIIOAOOZVKGST-UHFFFAOYSA-N
MW232.34 g/mol
LogP4.03
Rot. Bonds10

About methyl 2-fluorododecanoate

methyl 2-fluorododecanoate (PubChem CID 86171800) has the molecular formula C13H25FO2 and a molecular weight of 232.34 g/mol. Its IUPAC name is methyl 2-fluorododecanoate.

Molecular Properties

Compound Namemethyl 2-fluorododecanoate
PubChem CID86171800
Molecular FormulaC13H25FO2
Molecular Weight232.34 g/mol
Exact Mass232.18
IUPAC Namemethyl 2-fluorododecanoate
SMILESCCCCCCCCCCC(F)C(=O)OC
InChIInChI=1S/C13H25FO2/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12H,3-11H2,1-2H3
InChIKeySUIIOAOOZVKGST-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 54.03
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

methyl (2R)-2-fluorodecanoate
CID 11333185
2-fluorododecanoyl 2-fluorododecaneperoxoate
CID 175410514
ethyl (2R)-2-fluoroheptanoate
CID 102068873
methyl (2S,3S)-2-fluoro-3-hydroxyhexadecanoate
CID 51042609
dimethyl 2-dodecylpropanedioate
CID 158514957
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
methyl 2-undecyltridecanoate
CID 176610383
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluorododecanoate?
The IUPAC name of methyl 2-fluorododecanoate (CID 86171800) is methyl 2-fluorododecanoate.
What is the SMILES notation for methyl 2-fluorododecanoate?
The canonical SMILES for methyl 2-fluorododecanoate is CCCCCCCCCCC(F)C(=O)OC.
What is the InChIKey of methyl 2-fluorododecanoate?
The InChIKey is SUIIOAOOZVKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO2/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12H,3-11H2,1-2H3.
What are the key properties of methyl 2-fluorododecanoate?
methyl 2-fluorododecanoate has a molecular weight of 232.34 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluorododecanoate is sourced from PubChem (CID 86171800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).