(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol

C12H25FO3Si — CID 156903573

IUPAC(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](O)[C@]1(F)CO
InChIInChI=1S/C12H25FO3Si/c1-11(2,3)17(4,5)16-10-7-6-9(15)12(10,13)8-14/h9-10,14-15H,6-8H2,1-5H3/t9-,10-,12+/m0/s1
InChIKeyHQRQWICAMJRSQC-JBLDHEPKSA-N
MW264.41 g/mol
LogP2.23
Rot. Bonds3

About (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol

(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 156903573) has the molecular formula C12H25FO3Si and a molecular weight of 264.41 g/mol. Its IUPAC name is (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID156903573
Molecular FormulaC12H25FO3Si
Molecular Weight264.41 g/mol
Exact Mass264.16
IUPAC Name(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](O)[C@]1(F)CO
InChIInChI=1S/C12H25FO3Si/c1-11(2,3)17(4,5)16-10-7-6-9(15)12(10,13)8-14/h9-10,14-15H,6-8H2,1-5H3/t9-,10-,12+/m0/s1
InChIKeyHQRQWICAMJRSQC-JBLDHEPKSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
CID 134934271
cis-(1S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
CID 134986131
trans-2-(t-Butyldimethylsilyloxymethyl)cyclopentanol
CID 11053444
((1S,3S,4S)-3-(tert-butyldimethylsilyloxy)-4-fluorocyclopentyl)methanol
CID 67190388
(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol
CID 156903637
(1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol
CID 101470587
trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
CID 11207405
[rel-(1R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-cyclopentyl]methanol
CID 77237685
Rel-((1R,3R,4R)-3-((tert-butyldimethylsilyl)oxy)-4-fluorocyclopentyl)methanol
CID 155905400
trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol
CID 56986296
((1S,2S)-2-((tert-Butyldimethylsilyl)oxy)cyclopentyl)methanol
CID 58242124
CID 59563062
CID 59563062

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol (CID 156903573) is (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](O)[C@]1(F)CO.
What is the InChIKey of (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is HQRQWICAMJRSQC-JBLDHEPKSA-N. The full InChI is InChI=1S/C12H25FO3Si/c1-11(2,3)17(4,5)16-10-7-6-9(15)12(10,13)8-14/h9-10,14-15H,6-8H2,1-5H3/t9-,10-,12+/m0/s1.
What are the key properties of (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 156903573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).