3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol

C21H27FO2Si — CID 175762170

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol
SMILESCC(C)(C)[Si](OC1CCC(O)C1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2Si/c1-21(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-19-15-14-18(23)20(19)22/h4-13,18-20,23H,14-15H2,1-3H3
InChIKeyFHVWWJOEBMAYHJ-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.42
Rot. Bonds4

About 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol

3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol (PubChem CID 175762170) has the molecular formula C21H27FO2Si and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol
PubChem CID175762170
Molecular FormulaC21H27FO2Si
Molecular Weight358.53 g/mol
Exact Mass358.18
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol
SMILESCC(C)(C)[Si](OC1CCC(O)C1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2Si/c1-21(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-19-15-14-18(23)20(19)22/h4-13,18-20,23H,14-15H2,1-3H3
InChIKeyFHVWWJOEBMAYHJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol (CID 175762170) is 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol is CC(C)(C)[Si](OC1CCC(O)C1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol?
The InChIKey is FHVWWJOEBMAYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FO2Si/c1-21(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-19-15-14-18(23)20(19)22/h4-13,18-20,23H,14-15H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol?
3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol has a molecular weight of 358.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol is sourced from PubChem (CID 175762170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).