(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol

C14H23FO2 — CID 176613039

IUPAC(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol
SMILESC=C=C[C@@]1(F)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H23FO2/c1-6-7-14(15)12(16)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,16H,1,8H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyJYXABTCMCOIUPZ-YIYPIFLZSA-N
MW242.33 g/mol
LogP2.87
Rot. Bonds4

About (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol

(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol (PubChem CID 176613039) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol
PubChem CID176613039
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol
SMILESC=C=C[C@@]1(F)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H23FO2/c1-6-7-14(15)12(16)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,16H,1,8H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyJYXABTCMCOIUPZ-YIYPIFLZSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol (CID 176613039) is (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol is C=C=C[C@@]1(F)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol?
The InChIKey is JYXABTCMCOIUPZ-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H23FO2/c1-6-7-14(15)12(16)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,16H,1,8H2,2-5H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol?
(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol has a molecular weight of 242.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol is sourced from PubChem (CID 176613039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).