1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol

C10H11Cl2FO2S — CID 171873906

IUPAC1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
SMILESOC(CCS)C(O)c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FO2S/c11-6-3-5(13)4-7(12)9(6)10(15)8(14)1-2-16/h3-4,8,10,14-16H,1-2H2
InChIKeyCFOSGSDEQXRDIQ-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.85
Rot. Bonds4

About 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol

1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol (PubChem CID 171873906) has the molecular formula C10H11Cl2FO2S and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
PubChem CID171873906
Molecular FormulaC10H11Cl2FO2S
Molecular Weight285.17 g/mol
Exact Mass283.98
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
SMILESOC(CCS)C(O)c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FO2S/c11-6-3-5(13)4-7(12)9(6)10(15)8(14)1-2-16/h3-4,8,10,14-16H,1-2H2
InChIKeyCFOSGSDEQXRDIQ-UHFFFAOYSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichloro-4-fluorophenyl)butane-1,2,4-triol
CID 171872114
4-bromo-1-(2,6-dichloro-4-fluorophenyl)butane-1,2-diol
CID 171891823
1-(4-amino-2,6-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171874173
1-(2,3,4,5,6-pentafluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171874607
1-(4-fluoro-3,5-dimethylphenyl)-4-sulfanylbutane-1,2-diol
CID 171873924
1-(5-chloro-3-fluoro-2-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874048
1-(2,4-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873664
1-(2,5-dichloro-4-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874050
1-(2-amino-4,5-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171874160
1-(3,5-difluoro-2-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874440
1-(2-amino-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873797
1-(2-bromo-5-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171875172

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol (CID 171873906) is 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol is OC(CCS)C(O)c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol?
The InChIKey is CFOSGSDEQXRDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO2S/c11-6-3-5(13)4-7(12)9(6)10(15)8(14)1-2-16/h3-4,8,10,14-16H,1-2H2.
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol?
1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol has a molecular weight of 285.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)-4-sulfanylbutane-1,2-diol is sourced from PubChem (CID 171873906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).