methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate

C12H16FNO3 — CID 18779044

IUPACmethyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate
SMILESCOC(=O)NCCOCCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-16-12(15)14-7-9-17-8-6-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyWHWLDJMAHUVFJU-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.74
Rot. Bonds6

About methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate

methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate (PubChem CID 18779044) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate
PubChem CID18779044
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namemethyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate
SMILESCOC(=O)NCCOCCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-16-12(15)14-7-9-17-8-6-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyWHWLDJMAHUVFJU-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate (CID 18779044) is methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate is COC(=O)NCCOCCc1ccc(F)cc1.
What is the InChIKey of methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate?
The InChIKey is WHWLDJMAHUVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-16-12(15)14-7-9-17-8-6-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate?
methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate has a molecular weight of 241.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]carbamate is sourced from PubChem (CID 18779044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).