[4-(trifluoromethyl)phenyl]methyl sulfamate

C8H8F3NO3S — CID 24761699

IUPAC[4-(trifluoromethyl)phenyl]methyl sulfamate
SMILESNS(=O)(=O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)7-3-1-6(2-4-7)5-15-16(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyPAOUVGNLURELSL-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.43
Rot. Bonds3

About [4-(trifluoromethyl)phenyl]methyl sulfamate

[4-(trifluoromethyl)phenyl]methyl sulfamate (PubChem CID 24761699) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl sulfamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl sulfamate
PubChem CID24761699
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name[4-(trifluoromethyl)phenyl]methyl sulfamate
SMILESNS(=O)(=O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)7-3-1-6(2-4-7)5-15-16(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyPAOUVGNLURELSL-UHFFFAOYSA-N
XLogP1.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl sulfamate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl sulfamate (CID 24761699) is [4-(trifluoromethyl)phenyl]methyl sulfamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl sulfamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl sulfamate is NS(=O)(=O)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl sulfamate?
The InChIKey is PAOUVGNLURELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-8(10,11)7-3-1-6(2-4-7)5-15-16(12,13)14/h1-4H,5H2,(H2,12,13,14).
What are the key properties of [4-(trifluoromethyl)phenyl]methyl sulfamate?
[4-(trifluoromethyl)phenyl]methyl sulfamate has a molecular weight of 255.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl sulfamate is sourced from PubChem (CID 24761699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).