(2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol

C7H11FO4 — CID 91038817

IUPAC(2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol
SMILESC/C=C1\O[C@H](C(O)F)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H11FO4/c1-2-3-4(9)5(10)6(12-3)7(8)11/h2,4-7,9-11H,1H3/b3-2-/t4-,5+,6+,7?/m1/s1
InChIKeyWIUCHBSBKCEXKU-XHLLVLPESA-N
MW178.16 g/mol
LogP-0.70
Rot. Bonds1

About (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol

(2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol (PubChem CID 91038817) has the molecular formula C7H11FO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol
PubChem CID91038817
Molecular FormulaC7H11FO4
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC Name(2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol
SMILESC/C=C1\O[C@H](C(O)F)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H11FO4/c1-2-3-4(9)5(10)6(12-3)7(8)11/h2,4-7,9-11H,1H3/b3-2-/t4-,5+,6+,7?/m1/s1
InChIKeyWIUCHBSBKCEXKU-XHLLVLPESA-N
XLogP-0.70
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol?
The IUPAC name of (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol (CID 91038817) is (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol.
What is the SMILES notation for (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol?
The canonical SMILES for (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol is C/C=C1\O[C@H](C(O)F)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol?
The InChIKey is WIUCHBSBKCEXKU-XHLLVLPESA-N. The full InChI is InChI=1S/C7H11FO4/c1-2-3-4(9)5(10)6(12-3)7(8)11/h2,4-7,9-11H,1H3/b3-2-/t4-,5+,6+,7?/m1/s1.
What are the key properties of (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol?
(2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol has a molecular weight of 178.16 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S,4S,5S)-2-ethylidene-5-[fluoro(hydroxy)methyl]oxolane-3,4-diol is sourced from PubChem (CID 91038817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).