methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate

C11H14FNO2 — CID 115190841

IUPACmethyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-13(11(14)15-2)7-6-9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyRUXUQXYNDDBYOR-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.07
Rot. Bonds3

About methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate

methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate (PubChem CID 115190841) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate
PubChem CID115190841
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-13(11(14)15-2)7-6-9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyRUXUQXYNDDBYOR-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Methyl phenethylcarbamate
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methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
CID 115575391

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate (CID 115190841) is methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate is COC(=O)N(C)CCc1cccc(F)c1.
What is the InChIKey of methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is RUXUQXYNDDBYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(11(14)15-2)7-6-9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate?
methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 211.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 115190841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).