2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol

C11H15FOS — CID 105425481

IUPAC2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccccc1C(F)CO
InChIInChI=1S/C11H15FOS/c1-8(2)14-11-6-4-3-5-9(11)10(12)7-13/h3-6,8,10,13H,7H2,1-2H3
InChIKeyOAZFQECVYYTICB-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.19
Rot. Bonds4

About 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol

2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol (PubChem CID 105425481) has the molecular formula C11H15FOS and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol
PubChem CID105425481
Molecular FormulaC11H15FOS
Molecular Weight214.30 g/mol
Exact Mass214.08
IUPAC Name2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccccc1C(F)CO
InChIInChI=1S/C11H15FOS/c1-8(2)14-11-6-4-3-5-9(11)10(12)7-13/h3-6,8,10,13H,7H2,1-2H3
InChIKeyOAZFQECVYYTICB-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol?
The IUPAC name of 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol (CID 105425481) is 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol is CC(C)Sc1ccccc1C(F)CO.
What is the InChIKey of 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol?
The InChIKey is OAZFQECVYYTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FOS/c1-8(2)14-11-6-4-3-5-9(11)10(12)7-13/h3-6,8,10,13H,7H2,1-2H3.
What are the key properties of 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol?
2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol has a molecular weight of 214.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-propan-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 105425481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).