(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol

C7H11FO3 — CID 91080855

IUPAC(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@@H](O)C1=CF
InChIInChI=1S/C7H11FO3/c1-4-5(2-8)7(10)6(3-9)11-4/h2,4,6-7,9-10H,3H2,1H3/t4-,6+,7-/m0/s1
InChIKeyJOEZZOJWUPNYAJ-JHYUDYDFSA-N
MW162.16 g/mol
LogP-0.02
Rot. Bonds1

About (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol

(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol (PubChem CID 91080855) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
PubChem CID91080855
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@@H](O)C1=CF
InChIInChI=1S/C7H11FO3/c1-4-5(2-8)7(10)6(3-9)11-4/h2,4,6-7,9-10H,3H2,1H3/t4-,6+,7-/m0/s1
InChIKeyJOEZZOJWUPNYAJ-JHYUDYDFSA-N
XLogP-0.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4E)-4-(fluoromethylidene)-2-(hydroxymethyl)oxolan-3-ol
CID 58308064
(2R,3S,4E,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59263723
(2R,3S,4Z,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59796321
[(2S,4Z,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 68034797
(2R,3R,5S)-2-[(Z)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 88976608
[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 89043739
(2R,3R,5S)-2-(2-fluoroethenyl)-5-methyloxolane-3,4-diol
CID 91477847
(2R,3S)-4-(fluoromethylidene)-2-(hydroxymethyl)oxolan-3-ol
CID 123711593
[(4E)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 143325721
(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
CID 11240553
(3R,5S)-5-prop-1-en-2-yloxolan-3-ol
CID 102378266
CID 57693351
CID 57693351

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The IUPAC name of (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol (CID 91080855) is (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol is C[C@@H]1O[C@H](CO)[C@@H](O)C1=CF.
What is the InChIKey of (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The InChIKey is JOEZZOJWUPNYAJ-JHYUDYDFSA-N. The full InChI is InChI=1S/C7H11FO3/c1-4-5(2-8)7(10)6(3-9)11-4/h2,4,6-7,9-10H,3H2,1H3/t4-,6+,7-/m0/s1.
What are the key properties of (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol has a molecular weight of 162.16 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 91080855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).