2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol

C10H12F2OS — CID 117311064

IUPAC2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc(C(C)(C)O)c(F)c1F
InChIInChI=1S/C10H12F2OS/c1-10(2,13)6-4-5-7(14-3)9(12)8(6)11/h4-5,13H,1-3H3
InChIKeyRZMIZGFHTZEHLG-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.91
Rot. Bonds2

About 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol

2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol (PubChem CID 117311064) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol
PubChem CID117311064
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc(C(C)(C)O)c(F)c1F
InChIInChI=1S/C10H12F2OS/c1-10(2,13)6-4-5-7(14-3)9(12)8(6)11/h4-5,13H,1-3H3
InChIKeyRZMIZGFHTZEHLG-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol (CID 117311064) is 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol is CSc1ccc(C(C)(C)O)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol?
The InChIKey is RZMIZGFHTZEHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-10(2,13)6-4-5-7(14-3)9(12)8(6)11/h4-5,13H,1-3H3.
What are the key properties of 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol?
2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol has a molecular weight of 218.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 117311064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).