5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol

C12H17FOS — CID 70306041

IUPAC5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSC(CCC(C)O)c1ccccc1F
InChIInChI=1S/C12H17FOS/c1-9(14)7-8-12(15-2)10-5-3-4-6-11(10)13/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyGQSLEFUGFATCLI-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.39
Rot. Bonds5

About 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol

5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol (PubChem CID 70306041) has the molecular formula C12H17FOS and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
PubChem CID70306041
Molecular FormulaC12H17FOS
Molecular Weight228.33 g/mol
Exact Mass228.10
IUPAC Name5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSC(CCC(C)O)c1ccccc1F
InChIInChI=1S/C12H17FOS/c1-9(14)7-8-12(15-2)10-5-3-4-6-11(10)13/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyGQSLEFUGFATCLI-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The IUPAC name of 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol (CID 70306041) is 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol.
What is the SMILES notation for 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The canonical SMILES for 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol is CSC(CCC(C)O)c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The InChIKey is GQSLEFUGFATCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FOS/c1-9(14)7-8-12(15-2)10-5-3-4-6-11(10)13/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol has a molecular weight of 228.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol is sourced from PubChem (CID 70306041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).