[(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate

C12H21FO6 — CID 155663670

IUPAC[(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate
SMILESCOCOC[C@H]1C[C@@H](OC(C)=O)[C@H](F)[C@@H]1OCOC
InChIInChI=1S/C12H21FO6/c1-8(14)19-10-4-9(5-17-6-15-2)12(11(10)13)18-7-16-3/h9-12H,4-7H2,1-3H3/t9-,10-,11+,12-/m1/s1
InChIKeyCJNOGLCNBDVQME-WISYIIOYSA-N
MW280.29 g/mol
LogP0.89
Rot. Bonds8

About [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate

[(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate (PubChem CID 155663670) has the molecular formula C12H21FO6 and a molecular weight of 280.29 g/mol. Its IUPAC name is [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate
PubChem CID155663670
Molecular FormulaC12H21FO6
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name[(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate
SMILESCOCOC[C@H]1C[C@@H](OC(C)=O)[C@H](F)[C@@H]1OCOC
InChIInChI=1S/C12H21FO6/c1-8(14)19-10-4-9(5-17-6-15-2)12(11(10)13)18-7-16-3/h9-12H,4-7H2,1-3H3/t9-,10-,11+,12-/m1/s1
InChIKeyCJNOGLCNBDVQME-WISYIIOYSA-N
XLogP0.89
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,3S)-3-amino-2-(methoxymethoxy)cyclohexyl] acetate
CID 121347756
[(1R,2R,3S,4S)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate
CID 153447573
[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate
CID 126664181
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(2R,3S,5R)-5-acetyloxy-2,3,4-trimethylcyclohexyl]methyl acetate
CID 129224577
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
(2-ethyl-4-methylcyclopentyl) acetate
CID 153203207
[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate
CID 10038273
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(3R,3aR,6S,6aR)-3-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylprop-2-enoate
CID 89381495
[(1R,2R,3R,4R)-2,3-dihydroxy-4-(trityloxymethyl)cyclopentyl] acetate
CID 10025805

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate?
The IUPAC name of [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate (CID 155663670) is [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate.
What is the SMILES notation for [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate?
The canonical SMILES for [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate is COCOC[C@H]1C[C@@H](OC(C)=O)[C@H](F)[C@@H]1OCOC.
What is the InChIKey of [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate?
The InChIKey is CJNOGLCNBDVQME-WISYIIOYSA-N. The full InChI is InChI=1S/C12H21FO6/c1-8(14)19-10-4-9(5-17-6-15-2)12(11(10)13)18-7-16-3/h9-12H,4-7H2,1-3H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate?
[(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate has a molecular weight of 280.29 g/mol, XLogP of 0.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl] acetate is sourced from PubChem (CID 155663670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).