[4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate

C9H10F3NO3S — CID 44622898

IUPAC[4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO3S/c1-13(2)17(14,15)16-8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
InChIKeyIIVPSMUDNJKOTM-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.89
Rot. Bonds3

About [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate

[4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate (PubChem CID 44622898) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate
PubChem CID44622898
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name[4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO3S/c1-13(2)17(14,15)16-8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
InChIKeyIIVPSMUDNJKOTM-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate (CID 44622898) is [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate?
The InChIKey is IIVPSMUDNJKOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-13(2)17(14,15)16-8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3.
What are the key properties of [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate?
[4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate has a molecular weight of 269.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 44622898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).