[5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate

C11H14FNO5S — CID 72704711

IUPAC[5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate
SMILESCNS(=O)(=O)OC1OC(C)OC1c1ccccc1F
InChIInChI=1S/C11H14FNO5S/c1-7-16-10(8-5-3-4-6-9(8)12)11(17-7)18-19(14,15)13-2/h3-7,10-11,13H,1-2H3
InChIKeyKVFHTTIQDAVRBM-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.07
Rot. Bonds4

About [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate

[5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate (PubChem CID 72704711) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate
PubChem CID72704711
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Name[5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate
SMILESCNS(=O)(=O)OC1OC(C)OC1c1ccccc1F
InChIInChI=1S/C11H14FNO5S/c1-7-16-10(8-5-3-4-6-9(8)12)11(17-7)18-19(14,15)13-2/h3-7,10-11,13H,1-2H3
InChIKeyKVFHTTIQDAVRBM-UHFFFAOYSA-N
XLogP1.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate?
The IUPAC name of [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate (CID 72704711) is [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate.
What is the SMILES notation for [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate?
The canonical SMILES for [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate is CNS(=O)(=O)OC1OC(C)OC1c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate?
The InChIKey is KVFHTTIQDAVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S/c1-7-16-10(8-5-3-4-6-9(8)12)11(17-7)18-19(14,15)13-2/h3-7,10-11,13H,1-2H3.
What are the key properties of [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate?
[5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate has a molecular weight of 291.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl] N-methylsulfamate is sourced from PubChem (CID 72704711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).