4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol

C8H10FNO3S — CID 117311901

IUPAC4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)ccc(CN)c1F
InChIInChI=1S/C8H10FNO3S/c1-14(12,13)8-6(11)3-2-5(4-10)7(8)9/h2-3,11H,4,10H2,1H3
InChIKeyUUAXEIZDVFAJKY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.39
Rot. Bonds2

About 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol

4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol (PubChem CID 117311901) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol
PubChem CID117311901
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)ccc(CN)c1F
InChIInChI=1S/C8H10FNO3S/c1-14(12,13)8-6(11)3-2-5(4-10)7(8)9/h2-3,11H,4,10H2,1H3
InChIKeyUUAXEIZDVFAJKY-UHFFFAOYSA-N
XLogP0.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol?
The IUPAC name of 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol (CID 117311901) is 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol is CS(=O)(=O)c1c(O)ccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol?
The InChIKey is UUAXEIZDVFAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-14(12,13)8-6(11)3-2-5(4-10)7(8)9/h2-3,11H,4,10H2,1H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol?
4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol has a molecular weight of 219.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-2-methylsulfonylphenol is sourced from PubChem (CID 117311901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).