9-(8-fluorooctylsulfinyl)nonan-1-ol

C17H35FO2S — CID 75167479

IUPAC9-(8-fluorooctylsulfinyl)nonan-1-ol
SMILESO=S(CCCCCCCCF)CCCCCCCCCO
InChIInChI=1S/C17H35FO2S/c18-14-10-6-2-5-9-13-17-21(20)16-12-8-4-1-3-7-11-15-19/h19H,1-17H2
InChIKeyLHPKATSPNULFEO-UHFFFAOYSA-N
MW322.53 g/mol
LogP4.77
Rot. Bonds17

About 9-(8-fluorooctylsulfinyl)nonan-1-ol

9-(8-fluorooctylsulfinyl)nonan-1-ol (PubChem CID 75167479) has the molecular formula C17H35FO2S and a molecular weight of 322.53 g/mol. Its IUPAC name is 9-(8-fluorooctylsulfinyl)nonan-1-ol.

Molecular Properties

Compound Name9-(8-fluorooctylsulfinyl)nonan-1-ol
PubChem CID75167479
Molecular FormulaC17H35FO2S
Molecular Weight322.53 g/mol
Exact Mass322.23
IUPAC Name9-(8-fluorooctylsulfinyl)nonan-1-ol
SMILESO=S(CCCCCCCCF)CCCCCCCCCO
InChIInChI=1S/C17H35FO2S/c18-14-10-6-2-5-9-13-17-21(20)16-12-8-4-1-3-7-11-15-19/h19H,1-17H2
InChIKeyLHPKATSPNULFEO-UHFFFAOYSA-N
XLogP4.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 54.77
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 9-(8-fluorooctylsulfinyl)nonan-1-ol?
The IUPAC name of 9-(8-fluorooctylsulfinyl)nonan-1-ol (CID 75167479) is 9-(8-fluorooctylsulfinyl)nonan-1-ol.
What is the SMILES notation for 9-(8-fluorooctylsulfinyl)nonan-1-ol?
The canonical SMILES for 9-(8-fluorooctylsulfinyl)nonan-1-ol is O=S(CCCCCCCCF)CCCCCCCCCO.
What is the InChIKey of 9-(8-fluorooctylsulfinyl)nonan-1-ol?
The InChIKey is LHPKATSPNULFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FO2S/c18-14-10-6-2-5-9-13-17-21(20)16-12-8-4-1-3-7-11-15-19/h19H,1-17H2.
What are the key properties of 9-(8-fluorooctylsulfinyl)nonan-1-ol?
9-(8-fluorooctylsulfinyl)nonan-1-ol has a molecular weight of 322.53 g/mol, XLogP of 4.77, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-fluorooctylsulfinyl)nonan-1-ol is sourced from PubChem (CID 75167479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).