1-(2-fluorophenyl)sulfanyloctan-2-ol

C14H21FOS — CID 66052479

IUPAC1-(2-fluorophenyl)sulfanyloctan-2-ol
SMILESCCCCCCC(O)CSc1ccccc1F
InChIInChI=1S/C14H21FOS/c1-2-3-4-5-8-12(16)11-17-14-10-7-6-9-13(14)15/h6-7,9-10,12,16H,2-5,8,11H2,1H3
InChIKeyNDQJFCSFPMXMSZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.25
Rot. Bonds8

About 1-(2-fluorophenyl)sulfanyloctan-2-ol

1-(2-fluorophenyl)sulfanyloctan-2-ol (PubChem CID 66052479) has the molecular formula C14H21FOS and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyloctan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyloctan-2-ol
PubChem CID66052479
Molecular FormulaC14H21FOS
Molecular Weight256.39 g/mol
Exact Mass256.13
IUPAC Name1-(2-fluorophenyl)sulfanyloctan-2-ol
SMILESCCCCCCC(O)CSc1ccccc1F
InChIInChI=1S/C14H21FOS/c1-2-3-4-5-8-12(16)11-17-14-10-7-6-9-13(14)15/h6-7,9-10,12,16H,2-5,8,11H2,1H3
InChIKeyNDQJFCSFPMXMSZ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyloctan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyloctan-2-ol (CID 66052479) is 1-(2-fluorophenyl)sulfanyloctan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyloctan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyloctan-2-ol is CCCCCCC(O)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyloctan-2-ol?
The InChIKey is NDQJFCSFPMXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FOS/c1-2-3-4-5-8-12(16)11-17-14-10-7-6-9-13(14)15/h6-7,9-10,12,16H,2-5,8,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyloctan-2-ol?
1-(2-fluorophenyl)sulfanyloctan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyloctan-2-ol is sourced from PubChem (CID 66052479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).