(2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine

C9H12FNO2S — CID 118231632

IUPAC(2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine
SMILESCc1cc(F)c(CN)c(S(C)(=O)=O)c1
InChIInChI=1S/C9H12FNO2S/c1-6-3-8(10)7(5-11)9(4-6)14(2,12)13/h3-4H,5,11H2,1-2H3
InChIKeyITWKUCJEXKOAGX-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.00
Rot. Bonds2

About (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine

(2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine (PubChem CID 118231632) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine
PubChem CID118231632
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name(2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine
SMILESCc1cc(F)c(CN)c(S(C)(=O)=O)c1
InChIInChI=1S/C9H12FNO2S/c1-6-3-8(10)7(5-11)9(4-6)14(2,12)13/h3-4H,5,11H2,1-2H3
InChIKeyITWKUCJEXKOAGX-UHFFFAOYSA-N
XLogP1.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine?
The IUPAC name of (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine (CID 118231632) is (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine?
The canonical SMILES for (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine is Cc1cc(F)c(CN)c(S(C)(=O)=O)c1.
What is the InChIKey of (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine?
The InChIKey is ITWKUCJEXKOAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-6-3-8(10)7(5-11)9(4-6)14(2,12)13/h3-4H,5,11H2,1-2H3.
What are the key properties of (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine?
(2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine has a molecular weight of 217.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methyl-6-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 118231632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).