(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol

C6H9FO3 — CID 134853658

IUPAC(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O/C(=C/F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H9FO3/c1-3-5(8)6(9)4(2-7)10-3/h2-3,5-6,8-9H,1H3/b4-2+/t3-,5-,6+/m0/s1
InChIKeyQIJLPYLSACPOIV-YBLDXZKCSA-N
MW148.13 g/mol
LogP-0.06
Rot. Bonds

About (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol

(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol (PubChem CID 134853658) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
PubChem CID134853658
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O/C(=C/F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H9FO3/c1-3-5(8)6(9)4(2-7)10-3/h2-3,5-6,8-9H,1H3/b4-2+/t3-,5-,6+/m0/s1
InChIKeyQIJLPYLSACPOIV-YBLDXZKCSA-N
XLogP-0.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol?
The IUPAC name of (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol (CID 134853658) is (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol is C[C@@H]1O/C(=C/F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol?
The InChIKey is QIJLPYLSACPOIV-YBLDXZKCSA-N. The full InChI is InChI=1S/C6H9FO3/c1-3-5(8)6(9)4(2-7)10-3/h2-3,5-6,8-9H,1H3/b4-2+/t3-,5-,6+/m0/s1.
What are the key properties of (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol?
(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol has a molecular weight of 148.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 134853658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).