(2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol

C11H21FO2 — CID 130441414

IUPAC(2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol
SMILESCC(C)[C@@H]1O[C@H](C(C)(C)C)[C@@H](O)[C@@H]1F
InChIInChI=1S/C11H21FO2/c1-6(2)9-7(12)8(13)10(14-9)11(3,4)5/h6-10,13H,1-5H3/t7-,8-,9-,10-/m0/s1
InChIKeyFCHYQXOWQKAZMU-XKNYDFJKSA-N
MW204.28 g/mol
LogP2.15
Rot. Bonds1

About (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol

(2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol (PubChem CID 130441414) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol
PubChem CID130441414
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name(2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol
SMILESCC(C)[C@@H]1O[C@H](C(C)(C)C)[C@@H](O)[C@@H]1F
InChIInChI=1S/C11H21FO2/c1-6(2)9-7(12)8(13)10(14-9)11(3,4)5/h6-10,13H,1-5H3/t7-,8-,9-,10-/m0/s1
InChIKeyFCHYQXOWQKAZMU-XKNYDFJKSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol (CID 130441414) is (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol is CC(C)[C@@H]1O[C@H](C(C)(C)C)[C@@H](O)[C@@H]1F.
What is the InChIKey of (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol?
The InChIKey is FCHYQXOWQKAZMU-XKNYDFJKSA-N. The full InChI is InChI=1S/C11H21FO2/c1-6(2)9-7(12)8(13)10(14-9)11(3,4)5/h6-10,13H,1-5H3/t7-,8-,9-,10-/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol?
(2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol has a molecular weight of 204.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol is sourced from PubChem (CID 130441414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).