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

C8H16ClF3N2O2S — CID 107493022

IUPACN-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
SMILESCCN(CC)S(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H16ClF3N2O2S/c1-3-13(4-2)17(15,16)14(6-5-9)7-8(10,11)12/h3-7H2,1-2H3
InChIKeyBNYPMRHNVCGFNB-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.68
Rot. Bonds7

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

N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine (PubChem CID 107493022) has the molecular formula C8H16ClF3N2O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
PubChem CID107493022
Molecular FormulaC8H16ClF3N2O2S
Molecular Weight296.74 g/mol
Exact Mass296.06
IUPAC NameN-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
SMILESCCN(CC)S(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H16ClF3N2O2S/c1-3-13(4-2)17(15,16)14(6-5-9)7-8(10,11)12/h3-7H2,1-2H3
InChIKeyBNYPMRHNVCGFNB-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(diethylsulfamoyl)butan-1-amine
CID 63396851
N-(2-chloroethyl)-N-ethylmethanesulfonamide
CID 63397656
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
N-(2-chloroethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 107493068
N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine
CID 102873648
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493038
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate
CID 139547172
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine
CID 63396566

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine (CID 107493022) is N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine is CCN(CC)S(=O)(=O)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine?
The InChIKey is BNYPMRHNVCGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClF3N2O2S/c1-3-13(4-2)17(15,16)14(6-5-9)7-8(10,11)12/h3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine?
N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine has a molecular weight of 296.74 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107493022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).