3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione

C12H13FN2O3 — CID 72849188

IUPAC3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-9-1-3-10(4-2-9)18-8-7-15-11(16)5-6-14-12(15)17/h1-4H,5-8H2,(H,14,17)
InChIKeyXCHNWJXDCJNWHT-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.15
Rot. Bonds4

About 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione

3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 72849188) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione
PubChem CID72849188
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-9-1-3-10(4-2-9)18-8-7-15-11(16)5-6-14-12(15)17/h1-4H,5-8H2,(H,14,17)
InChIKeyXCHNWJXDCJNWHT-UHFFFAOYSA-N
XLogP1.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione
CID 146122496
1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
CID 82116529
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
(3aR,7aR)-2-[2-(4-fluorophenoxy)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124542832
4-[2-(4-fluorophenoxy)ethyl]-1,4-oxazepan-5-one
CID 72940136
1-[2-[4-(aminomethyl)phenoxy]ethyl]azepane-2,7-dione
CID 43447525
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
1-[3-(4-fluorophenoxy)propanoyl]-1,4-diazepan-5-one
CID 62045227
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidine-2,5-dione
CID 99824963
1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
1-(2-pyridin-3-yloxyethyl)pyrrolidine-2,5-dione
CID 143380588

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione (CID 72849188) is 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione is O=C1CCNC(=O)N1CCOc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is XCHNWJXDCJNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-9-1-3-10(4-2-9)18-8-7-15-11(16)5-6-14-12(15)17/h1-4H,5-8H2,(H,14,17).
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 252.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 72849188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).