1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol

C11H14ClFOS — CID 114852183

IUPAC1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFOS/c1-15-5-4-10(14)6-8-2-3-9(12)7-11(8)13/h2-3,7,10,14H,4-6H2,1H3
InChIKeySPTHIHWUXAECGQ-UHFFFAOYSA-N
MW248.75 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol

1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol (PubChem CID 114852183) has the molecular formula C11H14ClFOS and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
PubChem CID114852183
Molecular FormulaC11H14ClFOS
Molecular Weight248.75 g/mol
Exact Mass248.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFOS/c1-15-5-4-10(14)6-8-2-3-9(12)7-11(8)13/h2-3,7,10,14H,4-6H2,1H3
InChIKeySPTHIHWUXAECGQ-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-4-ethylsulfanylbutan-2-ol
CID 114852759
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
1-(4-chloro-2-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 114854652
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 63901398
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105132898
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol (CID 114852183) is 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol is CSCCC(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol?
The InChIKey is SPTHIHWUXAECGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFOS/c1-15-5-4-10(14)6-8-2-3-9(12)7-11(8)13/h2-3,7,10,14H,4-6H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol?
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol has a molecular weight of 248.75 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 114852183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).