N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine

C8H15ClF3NO2S — CID 107488814

IUPACN-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
SMILESCCS(=O)(=O)CCN(CCCl)CC(F)(F)F
InChIInChI=1S/C8H15ClF3NO2S/c1-2-16(14,15)6-5-13(4-3-9)7-8(10,11)12/h2-7H2,1H3
InChIKeyQDXFSMMZAHEUKX-UHFFFAOYSA-N
MW281.73 g/mol
LogP1.52
Rot. Bonds7

About N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine

N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine (PubChem CID 107488814) has the molecular formula C8H15ClF3NO2S and a molecular weight of 281.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
PubChem CID107488814
Molecular FormulaC8H15ClF3NO2S
Molecular Weight281.73 g/mol
Exact Mass281.05
IUPAC NameN-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
SMILESCCS(=O)(=O)CCN(CCCl)CC(F)(F)F
InChIInChI=1S/C8H15ClF3NO2S/c1-2-16(14,15)6-5-13(4-3-9)7-8(10,11)12/h2-7H2,1H3
InChIKeyQDXFSMMZAHEUKX-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
N'-(2-chloroethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107488929
N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
CID 107493022
N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 107488954
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-ethylsulfonylpropan-1-amine
CID 107488098
3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide
CID 112689923
(E)-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107897841
N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107901329
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 107489026
N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine
CID 106731287
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 107489094

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine (CID 107488814) is N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine is CCS(=O)(=O)CCN(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine?
The InChIKey is QDXFSMMZAHEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO2S/c1-2-16(14,15)6-5-13(4-3-9)7-8(10,11)12/h2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine?
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine has a molecular weight of 281.73 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107488814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).