[(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol

C8H15FO2 — CID 126586760

IUPAC[(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol
SMILESC[C@@H]1[C@H](CF)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C8H15FO2/c1-5-6(2)11-8(4-10)7(5)3-9/h5-8,10H,3-4H2,1-2H3/t5-,6-,7-,8+/m0/s1
InChIKeyLOYIGXAIQFBXHV-DKXJUACHSA-N
MW162.20 g/mol
LogP0.99
Rot. Bonds2

About [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol

[(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol (PubChem CID 126586760) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol
PubChem CID126586760
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name[(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol
SMILESC[C@@H]1[C@H](CF)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C8H15FO2/c1-5-6(2)11-8(4-10)7(5)3-9/h5-8,10H,3-4H2,1-2H3/t5-,6-,7-,8+/m0/s1
InChIKeyLOYIGXAIQFBXHV-DKXJUACHSA-N
XLogP0.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol (CID 126586760) is [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol is C[C@@H]1[C@H](CF)[C@@H](CO)O[C@H]1C.
What is the InChIKey of [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol?
The InChIKey is LOYIGXAIQFBXHV-DKXJUACHSA-N. The full InChI is InChI=1S/C8H15FO2/c1-5-6(2)11-8(4-10)7(5)3-9/h5-8,10H,3-4H2,1-2H3/t5-,6-,7-,8+/m0/s1.
What are the key properties of [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol?
[(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol has a molecular weight of 162.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5S)-3-(fluoromethyl)-4,5-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 126586760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).