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

C7H13FO3 — CID 89107738

IUPAC(2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)C[C@]1(O)CF
InChIInChI=1S/C7H13FO3/c1-5-7(10,4-8)2-6(3-9)11-5/h5-6,9-10H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyKNIZITWZFPMBKA-ACZMJKKPSA-N
MW164.18 g/mol
LogP-0.14
Rot. Bonds2

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

(2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 89107738) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID89107738
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)C[C@]1(O)CF
InChIInChI=1S/C7H13FO3/c1-5-7(10,4-8)2-6(3-9)11-5/h5-6,9-10H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyKNIZITWZFPMBKA-ACZMJKKPSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-Dimethyloxolan-2-yl)methanol
CID 12403542
3-Furanol, tetrahydro-5-ethyl-5-methyl-
CID 34773
(2,5-Dimethyloxolan-2-yl)methanol
CID 13616668
(2-Ethyloxolan-2-yl)methanol
CID 20388279
3-[(Oxiran-2-yl)methyl]oxolan-3-ol
CID 132327511
(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 70142416
(3R,5S)-5-(2-fluoro-1-hydroxyethyl)oxolan-3-ol
CID 134934689
[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methylidyneoxidanium
CID 53670285
4-Fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 54533855
[(2R,3S,4S)-3-fluoro-4,5-dimethyloxolan-2-yl]methanol
CID 57536196
[(2S,3R,4R)-4-fluoro-3,4,5-trimethyloxolan-2-yl]methanol
CID 57536206
[(2S,3R,4R)-4-fluoro-3,5-dimethyloxolan-2-yl]methanol
CID 57536207

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol (CID 89107738) is (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol is C[C@@H]1O[C@H](CO)C[C@]1(O)CF.
What is the InChIKey of (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is KNIZITWZFPMBKA-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H13FO3/c1-5-7(10,4-8)2-6(3-9)11-5/h5-6,9-10H,2-4H2,1H3/t5-,6-,7-/m0/s1.
What are the key properties of (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol?
(2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 164.18 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 89107738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).