methyl (2R)-2-fluorodecanoate

C11H21FO2 — CID 11333185

IUPACmethyl (2R)-2-fluorodecanoate
SMILESCCCCCCCC[C@@H](F)C(=O)OC
InChIInChI=1S/C11H21FO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeySPCPRQJNPITCCB-SNVBAGLBSA-N
MW204.28 g/mol
LogP3.25
Rot. Bonds8

About methyl (2R)-2-fluorodecanoate

methyl (2R)-2-fluorodecanoate (PubChem CID 11333185) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is methyl (2R)-2-fluorodecanoate.

Molecular Properties

Compound Namemethyl (2R)-2-fluorodecanoate
PubChem CID11333185
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Namemethyl (2R)-2-fluorodecanoate
SMILESCCCCCCCC[C@@H](F)C(=O)OC
InChIInChI=1S/C11H21FO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeySPCPRQJNPITCCB-SNVBAGLBSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 53.25
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 2-fluorododecanoate
CID 86171800
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 2-aminoheptadecanoate
CID 140839752

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-fluorodecanoate?
The IUPAC name of methyl (2R)-2-fluorodecanoate (CID 11333185) is methyl (2R)-2-fluorodecanoate.
What is the SMILES notation for methyl (2R)-2-fluorodecanoate?
The canonical SMILES for methyl (2R)-2-fluorodecanoate is CCCCCCCC[C@@H](F)C(=O)OC.
What is the InChIKey of methyl (2R)-2-fluorodecanoate?
The InChIKey is SPCPRQJNPITCCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21FO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-fluorodecanoate?
methyl (2R)-2-fluorodecanoate has a molecular weight of 204.28 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-fluorodecanoate is sourced from PubChem (CID 11333185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).