2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine

C7H14F3NO2S — CID 106513185

IUPAC2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(C)S(=O)(=O)CCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2)14(12,13)4-3-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeySDDGRMDVFHVYGN-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.96
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine

2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine (PubChem CID 106513185) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
PubChem CID106513185
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(C)S(=O)(=O)CCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2)14(12,13)4-3-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeySDDGRMDVFHVYGN-UHFFFAOYSA-N
XLogP0.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106731318
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724497
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 106723973
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine (CID 106513185) is 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine is CC(C)S(=O)(=O)CCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The InChIKey is SDDGRMDVFHVYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2)14(12,13)4-3-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine?
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine has a molecular weight of 233.25 g/mol, XLogP of 0.96, 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-propan-2-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 106513185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).