(3-fluoro-5-methylsulfonylphenyl)methanamine

C8H10FNO2S — CID 66877999

IUPAC(3-fluoro-5-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cc(F)cc(CN)c1
InChIInChI=1S/C8H10FNO2S/c1-13(11,12)8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3
InChIKeyRVIPXLSGEKIHMT-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.69
Rot. Bonds2

About (3-fluoro-5-methylsulfonylphenyl)methanamine

(3-fluoro-5-methylsulfonylphenyl)methanamine (PubChem CID 66877999) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is (3-fluoro-5-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylsulfonylphenyl)methanamine
PubChem CID66877999
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name(3-fluoro-5-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cc(F)cc(CN)c1
InChIInChI=1S/C8H10FNO2S/c1-13(11,12)8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3
InChIKeyRVIPXLSGEKIHMT-UHFFFAOYSA-N
XLogP0.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylsulfonylphenyl)methanamine?
The IUPAC name of (3-fluoro-5-methylsulfonylphenyl)methanamine (CID 66877999) is (3-fluoro-5-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylsulfonylphenyl)methanamine?
The canonical SMILES for (3-fluoro-5-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1cc(F)cc(CN)c1.
What is the InChIKey of (3-fluoro-5-methylsulfonylphenyl)methanamine?
The InChIKey is RVIPXLSGEKIHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-13(11,12)8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3.
What are the key properties of (3-fluoro-5-methylsulfonylphenyl)methanamine?
(3-fluoro-5-methylsulfonylphenyl)methanamine has a molecular weight of 203.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 66877999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).