(6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate

C12H14FNO4 — CID 70514104

IUPAC(6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)cc2c1OC(C)(C)OC2
InChIInChI=1S/C12H14FNO4/c1-12(2)16-6-7-4-8(13)5-9(10(7)18-12)17-11(15)14-3/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyRDWLIGMYAMUGMN-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.19
Rot. Bonds1

About (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate

(6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate (PubChem CID 70514104) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate.

Molecular Properties

Compound Name(6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate
PubChem CID70514104
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name(6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)cc2c1OC(C)(C)OC2
InChIInChI=1S/C12H14FNO4/c1-12(2)16-6-7-4-8(13)5-9(10(7)18-12)17-11(15)14-3/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyRDWLIGMYAMUGMN-UHFFFAOYSA-N
XLogP2.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate?
The IUPAC name of (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate (CID 70514104) is (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate.
What is the SMILES notation for (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate?
The canonical SMILES for (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate is CNC(=O)Oc1cc(F)cc2c1OC(C)(C)OC2.
What is the InChIKey of (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate?
The InChIKey is RDWLIGMYAMUGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-12(2)16-6-7-4-8(13)5-9(10(7)18-12)17-11(15)14-3/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate?
(6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate has a molecular weight of 255.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl) N-methylcarbamate is sourced from PubChem (CID 70514104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).