5-(2,5-difluorophenyl)sulfanylpentan-1-ol

C11H14F2OS — CID 62226939

IUPAC5-(2,5-difluorophenyl)sulfanylpentan-1-ol
SMILESOCCCCCSc1cc(F)ccc1F
InChIInChI=1S/C11H14F2OS/c12-9-4-5-10(13)11(8-9)15-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2
InChIKeyPGKFNVASOLQKPR-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.22
Rot. Bonds6

About 5-(2,5-difluorophenyl)sulfanylpentan-1-ol

5-(2,5-difluorophenyl)sulfanylpentan-1-ol (PubChem CID 62226939) has the molecular formula C11H14F2OS and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfanylpentan-1-ol
PubChem CID62226939
Molecular FormulaC11H14F2OS
Molecular Weight232.29 g/mol
Exact Mass232.07
IUPAC Name5-(2,5-difluorophenyl)sulfanylpentan-1-ol
SMILESOCCCCCSc1cc(F)ccc1F
InChIInChI=1S/C11H14F2OS/c12-9-4-5-10(13)11(8-9)15-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2
InChIKeyPGKFNVASOLQKPR-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,5-difluorophenyl)sulfanylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
5-(2,5-difluorophenyl)sulfanylpentanenitrile
CID 60665590
5-(2,5-difluorophenyl)sulfanylpentanehydrazide
CID 55215054
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
N-[4-(2,5-difluorophenyl)sulfanylbutyl]cyclopropanamine
CID 62577626
3-(aminomethyl)-6-(2,5-difluorophenyl)sulfanylhexan-3-ol
CID 106811633
5-(2,5-difluorophenyl)sulfanyl-2,2-dimethylpentanenitrile
CID 65257227
6-(2-amino-5-chlorophenyl)sulfanylhexan-1-ol
CID 107704002
4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide
CID 121364144
5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063344
2-[3-(2,5-difluorophenyl)sulfanylpropoxy]aniline
CID 43518988
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfanylpentan-1-ol?
The IUPAC name of 5-(2,5-difluorophenyl)sulfanylpentan-1-ol (CID 62226939) is 5-(2,5-difluorophenyl)sulfanylpentan-1-ol.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfanylpentan-1-ol?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfanylpentan-1-ol is OCCCCCSc1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfanylpentan-1-ol?
The InChIKey is PGKFNVASOLQKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OS/c12-9-4-5-10(13)11(8-9)15-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2.
What are the key properties of 5-(2,5-difluorophenyl)sulfanylpentan-1-ol?
5-(2,5-difluorophenyl)sulfanylpentan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfanylpentan-1-ol is sourced from PubChem (CID 62226939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).