ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate

C17H17F2NO4 — CID 56980775

IUPACethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)Oc1ccc(Oc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H17F2NO4/c1-3-20(17(21)22-4-2)24-15-7-5-14(6-8-15)23-16-10-12(18)9-13(19)11-16/h5-11H,3-4H2,1-2H3
InChIKeyWUGQTICLYBEEQS-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.53
Rot. Bonds6

About ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate

ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate (PubChem CID 56980775) has the molecular formula C17H17F2NO4 and a molecular weight of 337.32 g/mol. Its IUPAC name is ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate
PubChem CID56980775
Molecular FormulaC17H17F2NO4
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Nameethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)Oc1ccc(Oc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H17F2NO4/c1-3-20(17(21)22-4-2)24-15-7-5-14(6-8-15)23-16-10-12(18)9-13(19)11-16/h5-11H,3-4H2,1-2H3
InChIKeyWUGQTICLYBEEQS-UHFFFAOYSA-N
XLogP4.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate?
The IUPAC name of ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate (CID 56980775) is ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate.
What is the SMILES notation for ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate?
The canonical SMILES for ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate is CCOC(=O)N(CC)Oc1ccc(Oc2cc(F)cc(F)c2)cc1.
What is the InChIKey of ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate?
The InChIKey is WUGQTICLYBEEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4/c1-3-20(17(21)22-4-2)24-15-7-5-14(6-8-15)23-16-10-12(18)9-13(19)11-16/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate?
ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate has a molecular weight of 337.32 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3,5-difluorophenoxy)phenoxy]-N-ethylcarbamate is sourced from PubChem (CID 56980775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).