(2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol

C7H10BrFO3 — CID 88976613

IUPAC(2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C(/F)Br)[C@H](O)C1O
InChIInChI=1S/C7H10BrFO3/c1-3-6(10)7(11)4(12-3)2-5(8)9/h2-4,6-7,10-11H,1H3/b5-2+/t3-,4+,6?,7-/m0/s1
InChIKeyDPDVXVYYEOFTRV-DKSKUZDKSA-N
MW241.06 g/mol
LogP0.70
Rot. Bonds1

About (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol

(2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol (PubChem CID 88976613) has the molecular formula C7H10BrFO3 and a molecular weight of 241.06 g/mol. Its IUPAC name is (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol
PubChem CID88976613
Molecular FormulaC7H10BrFO3
Molecular Weight241.06 g/mol
Exact Mass239.98
IUPAC Name(2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C(/F)Br)[C@H](O)C1O
InChIInChI=1S/C7H10BrFO3/c1-3-6(10)7(11)4(12-3)2-5(8)9/h2-4,6-7,10-11H,1H3/b5-2+/t3-,4+,6?,7-/m0/s1
InChIKeyDPDVXVYYEOFTRV-DKSKUZDKSA-N
XLogP0.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-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

Related Compounds

CID 57693247
CID 57693247
CID 57693256
CID 57693256
(2R,3R,5S)-2-[(Z)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 88976608
(2R,3R,5S)-2-(2-bromo-2-fluoroethenyl)-5-methyloxolane-3,4-diol
CID 90864149
(2R,3R,5S)-2-(2-fluoroethenyl)-5-methyloxolane-3,4-diol
CID 91477847
(2R,3R,4S)-2-ethenyl-4-fluorooxolan-3-ol
CID 174199021
2-Ethenyl-5-methyloxolan-3-ol
CID 85299218
CID 57693249
CID 57693249
CID 57693393
CID 57693393
(2R,3R,5S)-2-ethenyl-5-methyloxolane-3,4-diol
CID 88976565
(2R,3R,5S)-2-(2,2-dibromoethenyl)-5-methyloxolane-3,4-diol
CID 88976612
(2R,3R,5S)-2-[(Z)-2-bromoethenyl]-5-methyloxolane-3,4-diol
CID 88976614

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol (CID 88976613) is (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](/C=C(/F)Br)[C@H](O)C1O.
What is the InChIKey of (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
The InChIKey is DPDVXVYYEOFTRV-DKSKUZDKSA-N. The full InChI is InChI=1S/C7H10BrFO3/c1-3-6(10)7(11)4(12-3)2-5(8)9/h2-4,6-7,10-11H,1H3/b5-2+/t3-,4+,6?,7-/m0/s1.
What are the key properties of (2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
(2R,3R,5S)-2-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol has a molecular weight of 241.06 g/mol, XLogP of 0.70, 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-[(Z)-2-bromo-2-fluoroethenyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 88976613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).