6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol

C11H16FNO3S — CID 117407300

IUPAC6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
SMILESCC(C)(N)Cc1ccc(S(C)(=O)=O)c(F)c1O
InChIInChI=1S/C11H16FNO3S/c1-11(2,13)6-7-4-5-8(17(3,15)16)9(12)10(7)14/h4-5,14H,6,13H2,1-3H3
InChIKeyFIICLZXEEXNQHW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds3

About 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol

6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol (PubChem CID 117407300) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
PubChem CID117407300
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
SMILESCC(C)(N)Cc1ccc(S(C)(=O)=O)c(F)c1O
InChIInChI=1S/C11H16FNO3S/c1-11(2,13)6-7-4-5-8(17(3,15)16)9(12)10(7)14/h4-5,14H,6,13H2,1-3H3
InChIKeyFIICLZXEEXNQHW-UHFFFAOYSA-N
XLogP1.21
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol?
The IUPAC name of 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol (CID 117407300) is 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol?
The canonical SMILES for 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol is CC(C)(N)Cc1ccc(S(C)(=O)=O)c(F)c1O.
What is the InChIKey of 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol?
The InChIKey is FIICLZXEEXNQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-11(2,13)6-7-4-5-8(17(3,15)16)9(12)10(7)14/h4-5,14H,6,13H2,1-3H3.
What are the key properties of 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol?
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol has a molecular weight of 261.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol is sourced from PubChem (CID 117407300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).