2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine

C11H14F3NO2S — CID 75443631

IUPAC2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
SMILESCS(=O)(=O)CC(NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO2S/c1-18(16,17)7-10(15-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3
InChIKeyRGQXNCIVOYWNHV-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.92
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine

2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine (PubChem CID 75443631) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
PubChem CID75443631
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
SMILESCS(=O)(=O)CC(NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO2S/c1-18(16,17)7-10(15-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3
InChIKeyRGQXNCIVOYWNHV-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
CID 65025465
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfonyl-1-phenylethanamine
CID 86793639
(2-methylsulfonyl-1-phenylethyl)benzene
CID 23546848
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
CID 64646605
N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide
CID 106334344
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine
CID 167860586

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine (CID 75443631) is 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine is CS(=O)(=O)CC(NCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine?
The InChIKey is RGQXNCIVOYWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-18(16,17)7-10(15-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine?
2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine has a molecular weight of 281.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine is sourced from PubChem (CID 75443631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).