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

C6H11FO3 — CID 58049069

IUPAC(4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol
SMILESCC[C@H]1OC(O)C(F)[C@H]1O
InChIInChI=1S/C6H11FO3/c1-2-3-5(8)4(7)6(9)10-3/h3-6,8-9H,2H2,1H3/t3-,4?,5+,6?/m1/s1
InChIKeyAZVNQQBMRFHAMK-WLUBYYRMSA-N
MW150.15 g/mol
LogP-0.19
Rot. Bonds1

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

(4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol (PubChem CID 58049069) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol.

Molecular Properties

Compound Name(4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol
PubChem CID58049069
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name(4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol
SMILESCC[C@H]1OC(O)C(F)[C@H]1O
InChIInChI=1S/C6H11FO3/c1-2-3-5(8)4(7)6(9)10-3/h3-6,8-9H,2H2,1H3/t3-,4?,5+,6?/m1/s1
InChIKeyAZVNQQBMRFHAMK-WLUBYYRMSA-N
XLogP-0.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol?
The IUPAC name of (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol (CID 58049069) is (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol.
What is the SMILES notation for (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol?
The canonical SMILES for (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol is CC[C@H]1OC(O)C(F)[C@H]1O.
What is the InChIKey of (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol?
The InChIKey is AZVNQQBMRFHAMK-WLUBYYRMSA-N. The full InChI is InChI=1S/C6H11FO3/c1-2-3-5(8)4(7)6(9)10-3/h3-6,8-9H,2H2,1H3/t3-,4?,5+,6?/m1/s1.
What are the key properties of (4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol?
(4S,5R)-5-ethyl-3-fluorooxolane-2,4-diol has a molecular weight of 150.15 g/mol, XLogP of -0.19, 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-3-fluorooxolane-2,4-diol is sourced from PubChem (CID 58049069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).