methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate

C8H13FO4 — CID 90274160

IUPACmethyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate
SMILESCOC(=O)C[C@H]1[C@@H](F)[C@H](O)C[C@@H]1O
InChIInChI=1S/C8H13FO4/c1-13-7(12)2-4-5(10)3-6(11)8(4)9/h4-6,8,10-11H,2-3H2,1H3/t4-,5+,6-,8-/m1/s1
InChIKeyZILKOQOQAVZGQJ-BYPJNBLXSA-N
MW192.19 g/mol
LogP-0.37
Rot. Bonds2

About methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate

methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate (PubChem CID 90274160) has the molecular formula C8H13FO4 and a molecular weight of 192.19 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate
PubChem CID90274160
Molecular FormulaC8H13FO4
Molecular Weight192.19 g/mol
Exact Mass192.08
IUPAC Namemethyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate
SMILESCOC(=O)C[C@H]1[C@@H](F)[C@H](O)C[C@@H]1O
InChIInChI=1S/C8H13FO4/c1-13-7(12)2-4-5(10)3-6(11)8(4)9/h4-6,8,10-11H,2-3H2,1H3/t4-,5+,6-,8-/m1/s1
InChIKeyZILKOQOQAVZGQJ-BYPJNBLXSA-N
XLogP-0.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate
CID 13424932
methyl 2-[(1R,3S,6S)-3-tricyclo[2.2.1.02,6]heptanyl]acetate
CID 131860871
methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 89197309
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
methyl 2-[(1R,2S,3R,5S)-1-fluoro-3,6-dihydroxy-2-bicyclo[3.1.0]hexanyl]acetate
CID 141117145
methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
CID 59071370
methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
CID 141099553
methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate
CID 146165035
actinium;methyl 7-[(2R,3S,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
CID 59071395
methyl 2-(2,2-difluorocyclopropyl)acetate
CID 146229342

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate (CID 90274160) is methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate is COC(=O)C[C@H]1[C@@H](F)[C@H](O)C[C@@H]1O.
What is the InChIKey of methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate?
The InChIKey is ZILKOQOQAVZGQJ-BYPJNBLXSA-N. The full InChI is InChI=1S/C8H13FO4/c1-13-7(12)2-4-5(10)3-6(11)8(4)9/h4-6,8,10-11H,2-3H2,1H3/t4-,5+,6-,8-/m1/s1.
What are the key properties of methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate?
methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate has a molecular weight of 192.19 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate is sourced from PubChem (CID 90274160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).