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

C6H11FO2 — CID 58758245

IUPAC(3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol
SMILESC[C@H]1C[C@H](O)C(CF)O1
InChIInChI=1S/C6H11FO2/c1-4-2-5(8)6(3-7)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6?/m0/s1
InChIKeyHSSIRXKISCZMSY-HVYQYDHPSA-N
MW134.15 g/mol
LogP0.49
Rot. Bonds1

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

(3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol (PubChem CID 58758245) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol
PubChem CID58758245
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name(3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol
SMILESC[C@H]1C[C@H](O)C(CF)O1
InChIInChI=1S/C6H11FO2/c1-4-2-5(8)6(3-7)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6?/m0/s1
InChIKeyHSSIRXKISCZMSY-HVYQYDHPSA-N
XLogP0.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2S,5R)-2-ethyl-5-methyloxolan-3-ol;hydrate
CID 91272276
CID 161264357
CID 161264357
[(2S,3S,5S)-3-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 102138015
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
2-(fluoromethyl)-6-methyloxan-4-ol
CID 142172461
(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol
CID 174116775
(2R,5R,6S)-6-(fluoromethyl)oxane-2,5-diol
CID 25228283
[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol
CID 88976400

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol?
The IUPAC name of (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol (CID 58758245) is (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol?
The canonical SMILES for (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol is C[C@H]1C[C@H](O)C(CF)O1.
What is the InChIKey of (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol?
The InChIKey is HSSIRXKISCZMSY-HVYQYDHPSA-N. The full InChI is InChI=1S/C6H11FO2/c1-4-2-5(8)6(3-7)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6?/m0/s1.
What are the key properties of (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol?
(3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol has a molecular weight of 134.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 58758245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).