1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol

C18H37FOS — CID 23287270

IUPAC1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol
SMILESCCCCCCCCC(O)CSC(C)CC(F)CCCC
InChIInChI=1S/C18H37FOS/c1-4-6-8-9-10-11-13-18(20)15-21-16(3)14-17(19)12-7-5-2/h16-18,20H,4-15H2,1-3H3
InChIKeyLDRIFVJKSADODW-UHFFFAOYSA-N
MW320.56 g/mol
LogP6.14
Rot. Bonds15

About 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol

1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol (PubChem CID 23287270) has the molecular formula C18H37FOS and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol.

Molecular Properties

Compound Name1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol
PubChem CID23287270
Molecular FormulaC18H37FOS
Molecular Weight320.56 g/mol
Exact Mass320.25
IUPAC Name1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol
SMILESCCCCCCCCC(O)CSC(C)CC(F)CCCC
InChIInChI=1S/C18H37FOS/c1-4-6-8-9-10-11-13-18(20)15-21-16(3)14-17(19)12-7-5-2/h16-18,20H,4-15H2,1-3H3
InChIKeyLDRIFVJKSADODW-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.14
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-(4-fluorooctan-2-ylsulfanyl)decan-2-ol?
The IUPAC name of 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol (CID 23287270) is 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol.
What is the SMILES notation for 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol?
The canonical SMILES for 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol is CCCCCCCCC(O)CSC(C)CC(F)CCCC.
What is the InChIKey of 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol?
The InChIKey is LDRIFVJKSADODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FOS/c1-4-6-8-9-10-11-13-18(20)15-21-16(3)14-17(19)12-7-5-2/h16-18,20H,4-15H2,1-3H3.
What are the key properties of 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol?
1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol has a molecular weight of 320.56 g/mol, XLogP of 6.14, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorooctan-2-ylsulfanyl)decan-2-ol is sourced from PubChem (CID 23287270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).