2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine

C10H12F3NO2S — CID 113421976

IUPAC2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
SMILESCC(C(N)c1c(F)cc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C10H12F3NO2S/c1-5(17(2,15)16)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3
InChIKeyARLJLXFMHZPOIH-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.54
Rot. Bonds3

About 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine

2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine (PubChem CID 113421976) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
PubChem CID113421976
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
SMILESCC(C(N)c1c(F)cc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C10H12F3NO2S/c1-5(17(2,15)16)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3
InChIKeyARLJLXFMHZPOIH-UHFFFAOYSA-N
XLogP1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662
1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 105016528
2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine
CID 104519089
1-(2,4,6-trifluorophenyl)ethyl methanesulfonate
CID 22182424
(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623
1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
CID 76786505
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 130731385
(1R)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487
2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid
CID 130136009
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The IUPAC name of 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine (CID 113421976) is 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The canonical SMILES for 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine is CC(C(N)c1c(F)cc(F)cc1F)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The InChIKey is ARLJLXFMHZPOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-5(17(2,15)16)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10H,14H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine has a molecular weight of 267.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 113421976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).