chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate

C4H4ClF6NO3S — CID 139547172

IUPACchloro N,N-bis(2,2,2-trifluoroethyl)sulfamate
SMILESO=S(=O)(OCl)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H4ClF6NO3S/c5-15-16(13,14)12(1-3(6,7)8)2-4(9,10)11/h1-2H2
InChIKeyWCZSARXLPHHVSB-UHFFFAOYSA-N
MW295.59 g/mol
LogP1.83
Rot. Bonds4

About chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate

chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate (PubChem CID 139547172) has the molecular formula C4H4ClF6NO3S and a molecular weight of 295.59 g/mol. Its IUPAC name is chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate.

Molecular Properties

Compound Namechloro N,N-bis(2,2,2-trifluoroethyl)sulfamate
PubChem CID139547172
Molecular FormulaC4H4ClF6NO3S
Molecular Weight295.59 g/mol
Exact Mass294.95
IUPAC Namechloro N,N-bis(2,2,2-trifluoroethyl)sulfamate
SMILESO=S(=O)(OCl)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H4ClF6NO3S/c5-15-16(13,14)12(1-3(6,7)8)2-4(9,10)11/h1-2H2
InChIKeyWCZSARXLPHHVSB-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.59
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

chloro N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 139547171
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 155476018
N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
CID 107493022
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046480
2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114806576
2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258153
N,N-dichloro-2,2,2-trifluoroethanamine
CID 175454516
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-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107492957
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473

Frequently Asked Questions

What is the IUPAC name of chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate?
The IUPAC name of chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate (CID 139547172) is chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate.
What is the SMILES notation for chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate?
The canonical SMILES for chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate is O=S(=O)(OCl)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate?
The InChIKey is WCZSARXLPHHVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF6NO3S/c5-15-16(13,14)12(1-3(6,7)8)2-4(9,10)11/h1-2H2.
What are the key properties of chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate?
chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate has a molecular weight of 295.59 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate is sourced from PubChem (CID 139547172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).