(2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol

C9H11FO3 — CID 91574330

IUPAC(2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](C=CC#CF)[C@H](O)C1O
InChIInChI=1S/C9H11FO3/c1-6-8(11)9(12)7(13-6)4-2-3-5-10/h2,4,6-9,11-12H,1H3/t6-,7+,8?,9-/m0/s1
InChIKeyONTRNQYEQZFMAS-CUIKDFOKSA-N
MW186.18 g/mol
LogP-0.02
Rot. Bonds1

About (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol

(2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol (PubChem CID 91574330) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol
PubChem CID91574330
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name(2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](C=CC#CF)[C@H](O)C1O
InChIInChI=1S/C9H11FO3/c1-6-8(11)9(12)7(13-6)4-2-3-5-10/h2,4,6-9,11-12H,1H3/t6-,7+,8?,9-/m0/s1
InChIKeyONTRNQYEQZFMAS-CUIKDFOKSA-N
XLogP-0.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol with MolForge

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Related Compounds

Trienylfuranol A
CID 132571658
Penicillar D
CID 139588226
(1R,2R,3S,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 11557285
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 349712
(3aS,4S,5S,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 21626178
CID 57693247
CID 57693247
CID 57693430
CID 57693430
(2R,3R,5S)-2-[(Z)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 88976608
(2R,3R,5S)-2-[(E)-4-fluorobut-1-en-3-ynyl]-5-methyloxolane-3,4-diol
CID 88976648
(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol
CID 89260219
(2R,3R,5S)-2-(2-fluoroethenyl)-5-methyloxolane-3,4-diol
CID 91477847
(2R,3S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 133633629

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol (CID 91574330) is (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](C=CC#CF)[C@H](O)C1O.
What is the InChIKey of (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol?
The InChIKey is ONTRNQYEQZFMAS-CUIKDFOKSA-N. The full InChI is InChI=1S/C9H11FO3/c1-6-8(11)9(12)7(13-6)4-2-3-5-10/h2,4,6-9,11-12H,1H3/t6-,7+,8?,9-/m0/s1.
What are the key properties of (2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol?
(2R,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol has a molecular weight of 186.18 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,3R,5S)-2-(4-fluorobut-1-en-3-ynyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 91574330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).