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

C7H13FO3 — CID 88976519

IUPAC(2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@H](CF)C1O
InChIInChI=1S/C7H13FO3/c1-4-7(10)5(2-8)6(3-9)11-4/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7?/m0/s1
InChIKeyNYIPHXQTZRLAHI-VNEOENNNSA-N
MW164.18 g/mol
LogP-0.29
Rot. Bonds2

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

(2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 88976519) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID88976519
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@H](CF)C1O
InChIInChI=1S/C7H13FO3/c1-4-7(10)5(2-8)6(3-9)11-4/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7?/m0/s1
InChIKeyNYIPHXQTZRLAHI-VNEOENNNSA-N
XLogP-0.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol (CID 88976519) is (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol is C[C@@H]1O[C@H](CO)[C@H](CF)C1O.
What is the InChIKey of (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is NYIPHXQTZRLAHI-VNEOENNNSA-N. The full InChI is InChI=1S/C7H13FO3/c1-4-7(10)5(2-8)6(3-9)11-4/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7?/m0/s1.
What are the key properties of (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
(2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 164.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-4-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 88976519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).