(2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C9H17FO3 — CID 166853153

IUPAC(2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCCC(C)C1O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C9H17FO3/c1-3-5(2)9-7(10)8(12)6(4-11)13-9/h5-9,11-12H,3-4H2,1-2H3/t5?,6-,7-,8-,9?/m1/s1
InChIKeyVHDQTVODRWMVCR-WIUUEXBZSA-N
MW192.23 g/mol
LogP0.49
Rot. Bonds3

About (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 166853153) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID166853153
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Name(2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCCC(C)C1O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C9H17FO3/c1-3-5(2)9-7(10)8(12)6(4-11)13-9/h5-9,11-12H,3-4H2,1-2H3/t5?,6-,7-,8-,9?/m1/s1
InChIKeyVHDQTVODRWMVCR-WIUUEXBZSA-N
XLogP0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 166853153) is (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is CCC(C)C1O[C@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VHDQTVODRWMVCR-WIUUEXBZSA-N. The full InChI is InChI=1S/C9H17FO3/c1-3-5(2)9-7(10)8(12)6(4-11)13-9/h5-9,11-12H,3-4H2,1-2H3/t5?,6-,7-,8-,9?/m1/s1.
What are the key properties of (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 192.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-butan-2-yl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 166853153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).