[(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol

C7H13FO2 — CID 118465956

IUPAC[(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@H](CF)[C@@H](CO)O1
InChIInChI=1S/C7H13FO2/c1-5-2-6(3-8)7(4-9)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyXAUJCIBMKLKWRM-RRKCRQDMSA-N
MW148.18 g/mol
LogP0.74
Rot. Bonds2

About [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol

[(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol (PubChem CID 118465956) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol
PubChem CID118465956
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name[(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@H](CF)[C@@H](CO)O1
InChIInChI=1S/C7H13FO2/c1-5-2-6(3-8)7(4-9)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyXAUJCIBMKLKWRM-RRKCRQDMSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,5-Dimethyloxolan-2-yl)methanol
CID 12403542
(2,5-Dimethyloxolan-2-yl)methanol
CID 13616668
(4-Methyloxolan-2-yl)methanol
CID 14379827
(2-Ethyloxolan-2-yl)methanol
CID 20388279
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol
CID 67763665
(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 70142416
rac-((2R,3S)-3-methyloxolan-2-yl)methanol
CID 137952016
2-fluoro-1-[(2S)-oxolan-2-yl]ethanol
CID 134934688
[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol
CID 59783314
(3-Fluoro-5-methyloxolan-2-yl)methanol
CID 14383108
(4-Fluoro-5-methyloxolan-2-yl)methanol
CID 53947535
4-Fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 54533855

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol (CID 118465956) is [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol is C[C@H]1C[C@H](CF)[C@@H](CO)O1.
What is the InChIKey of [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol?
The InChIKey is XAUJCIBMKLKWRM-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5-2-6(3-8)7(4-9)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol?
[(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol has a molecular weight of 148.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5S)-3-(fluoromethyl)-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 118465956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).