(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol

C8H15FO3 — CID 58060762

IUPAC(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol
SMILESCC1(C)CO[C@H](CO)C(O)[C@H]1F
InChIInChI=1S/C8H15FO3/c1-8(2)4-12-5(3-10)6(11)7(8)9/h5-7,10-11H,3-4H2,1-2H3/t5-,6?,7-/m1/s1
InChIKeyTZOKLANHDFGPMI-YFBHCESUSA-N
MW178.20 g/mol
LogP0.10
Rot. Bonds1

About (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol

(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol (PubChem CID 58060762) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol
PubChem CID58060762
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol
SMILESCC1(C)CO[C@H](CO)C(O)[C@H]1F
InChIInChI=1S/C8H15FO3/c1-8(2)4-12-5(3-10)6(11)7(8)9/h5-7,10-11H,3-4H2,1-2H3/t5-,6?,7-/m1/s1
InChIKeyTZOKLANHDFGPMI-YFBHCESUSA-N
XLogP0.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol?
The IUPAC name of (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol (CID 58060762) is (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol.
What is the SMILES notation for (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol?
The canonical SMILES for (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol is CC1(C)CO[C@H](CO)C(O)[C@H]1F.
What is the InChIKey of (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol?
The InChIKey is TZOKLANHDFGPMI-YFBHCESUSA-N. The full InChI is InChI=1S/C8H15FO3/c1-8(2)4-12-5(3-10)6(11)7(8)9/h5-7,10-11H,3-4H2,1-2H3/t5-,6?,7-/m1/s1.
What are the key properties of (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol?
(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol has a molecular weight of 178.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol is sourced from PubChem (CID 58060762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).