[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol

C6H11FO2 — CID 67763665

IUPAC[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C[C@@H]1F
InChIInChI=1S/C6H11FO2/c1-4-6(7)2-5(3-8)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyJCBSGWKKCSYLGM-ZLUOBGJFSA-N
MW134.15 g/mol
LogP0.49
Rot. Bonds1

About [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol

[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol (PubChem CID 67763665) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol
PubChem CID67763665
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C[C@@H]1F
InChIInChI=1S/C6H11FO2/c1-4-6(7)2-5(3-8)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyJCBSGWKKCSYLGM-ZLUOBGJFSA-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

1,4-Sorbitan
CID 10953859
2,5-anhydro-D-mannitol
CID 73544
Tetrahydro-5-methylfuran-2-methanol
CID 41171
Tetrahydro-5-methyl-2-furanmethanol (trans)
CID 12659791
2,5-anhydro-D-glucitol
CID 176465
2,5-Tetrahydrofurandimethanol
CID 97792
rac-[(2R,5R)-5-methyloxolan-2-yl]methanol
CID 10920487
2,5-Tetrahydrofurandimethanol, cis-
CID 12886254
2-Furanmethanol, tetrahydro-5-methyl-, cis-
CID 23620995
1-(Oxolan-2-yl)ethan-1-ol
CID 12459578
(1R)-1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]ethanol
CID 44264634
2,5-Anhydrohexitol
CID 1494

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol (CID 67763665) is [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol is C[C@@H]1O[C@H](CO)C[C@@H]1F.
What is the InChIKey of [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol?
The InChIKey is JCBSGWKKCSYLGM-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H11FO2/c1-4-6(7)2-5(3-8)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6-/m0/s1.
What are the key properties of [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol?
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol 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 [(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 67763665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).