(2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol

C6H11FO4 — CID 135084244

IUPAC(2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol
SMILESCC(F)[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C6H11FO4/c1-2(7)5-3(8)4(9)6(10)11-5/h2-6,8-10H,1H3/t2?,3?,4?,5-,6-/m1/s1
InChIKeyCHVZEBBBXIAUSO-KZQNILFTSA-N
MW166.15 g/mol
LogP-1.22
Rot. Bonds1

About (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol

(2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol (PubChem CID 135084244) has the molecular formula C6H11FO4 and a molecular weight of 166.15 g/mol. Its IUPAC name is (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol
PubChem CID135084244
Molecular FormulaC6H11FO4
Molecular Weight166.15 g/mol
Exact Mass166.06
IUPAC Name(2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol
SMILESCC(F)[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C6H11FO4/c1-2(7)5-3(8)4(9)6(10)11-5/h2-6,8-10H,1H3/t2?,3?,4?,5-,6-/m1/s1
InChIKeyCHVZEBBBXIAUSO-KZQNILFTSA-N
XLogP-1.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol (CID 135084244) is (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol is CC(F)[C@H]1O[C@@H](O)C(O)C1O.
What is the InChIKey of (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol?
The InChIKey is CHVZEBBBXIAUSO-KZQNILFTSA-N. The full InChI is InChI=1S/C6H11FO4/c1-2(7)5-3(8)4(9)6(10)11-5/h2-6,8-10H,1H3/t2?,3?,4?,5-,6-/m1/s1.
What are the key properties of (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol?
(2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol has a molecular weight of 166.15 g/mol, XLogP of -1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1-fluoroethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 135084244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).