[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate

C10H17FO5 — CID 129236459

IUPAC[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate
SMILESO=C(CCCCF)OC[C@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C10H17FO5/c11-4-2-1-3-9(13)16-6-8-10(14)7(12)5-15-8/h7-8,10,12,14H,1-6H2/t7-,8-,10-/m1/s1
InChIKeySYSINYKVHMICCX-NQMVMOMDSA-N
MW236.24 g/mol
LogP-0.21
Rot. Bonds6

About [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate

[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate (PubChem CID 129236459) has the molecular formula C10H17FO5 and a molecular weight of 236.24 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate
PubChem CID129236459
Molecular FormulaC10H17FO5
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate
SMILESO=C(CCCCF)OC[C@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C10H17FO5/c11-4-2-1-3-9(13)16-6-8-10(14)7(12)5-15-8/h7-8,10,12,14H,1-6H2/t7-,8-,10-/m1/s1
InChIKeySYSINYKVHMICCX-NQMVMOMDSA-N
XLogP-0.21
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate?
The IUPAC name of [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate (CID 129236459) is [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate.
What is the SMILES notation for [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate?
The canonical SMILES for [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate is O=C(CCCCF)OC[C@H]1OC[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate?
The InChIKey is SYSINYKVHMICCX-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H17FO5/c11-4-2-1-3-9(13)16-6-8-10(14)7(12)5-15-8/h7-8,10,12,14H,1-6H2/t7-,8-,10-/m1/s1.
What are the key properties of [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate?
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate has a molecular weight of 236.24 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate is sourced from PubChem (CID 129236459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).