(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol

C7H13FO3 — CID 122450260

IUPAC(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol
SMILESCC[C@H]1OC(O)C(C)(O)[C@H]1F
InChIInChI=1S/C7H13FO3/c1-3-4-5(8)7(2,10)6(9)11-4/h4-6,9-10H,3H2,1-2H3/t4-,5+,6?,7?/m1/s1
InChIKeyLZEOIGQFRSUZKR-OZRTXJSJSA-N
MW164.18 g/mol
LogP0.20
Rot. Bonds1

About (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol

(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol (PubChem CID 122450260) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol.

Molecular Properties

Compound Name(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol
PubChem CID122450260
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol
SMILESCC[C@H]1OC(O)C(C)(O)[C@H]1F
InChIInChI=1S/C7H13FO3/c1-3-4-5(8)7(2,10)6(9)11-4/h4-6,9-10H,3H2,1-2H3/t4-,5+,6?,7?/m1/s1
InChIKeyLZEOIGQFRSUZKR-OZRTXJSJSA-N
XLogP0.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

beta-D-Hamamelofuranose
CID 92466474
GlyTouCan:G97770FD
CID 44291346
(3R,4R,5R)-5-ethyloxolane-2,3,4-triol
CID 46874096
alpha-D-Hamamelofuranose
CID 15559617
(2R,5R)-5-(2-fluoroethyl)oxolane-2,3,4-triol
CID 135075017
GlyTouCan:G17537VT
CID 135084147
GlyTouCan:G71052GZ
CID 135084244
GlyTouCan:G97149NV
CID 15559618
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
(3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
CID 134837083
5-Ethyl-3-fluoro-4-methyloxolan-2-ol
CID 21040986
(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol
CID 56605047

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol?
The IUPAC name of (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol (CID 122450260) is (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol.
What is the SMILES notation for (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol?
The canonical SMILES for (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol is CC[C@H]1OC(O)C(C)(O)[C@H]1F.
What is the InChIKey of (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol?
The InChIKey is LZEOIGQFRSUZKR-OZRTXJSJSA-N. The full InChI is InChI=1S/C7H13FO3/c1-3-4-5(8)7(2,10)6(9)11-4/h4-6,9-10H,3H2,1-2H3/t4-,5+,6?,7?/m1/s1.
What are the key properties of (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol?
(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol has a molecular weight of 164.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol is sourced from PubChem (CID 122450260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).