[5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate

C14H17ClFNO4 — CID 171745610

IUPAC[5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate
SMILESCCOc1c(C(C)O)cc(Cl)c(F)c1OC(=O)N1CCC1
InChIInChI=1S/C14H17ClFNO4/c1-3-20-12-9(8(2)18)7-10(15)11(16)13(12)21-14(19)17-5-4-6-17/h7-8,18H,3-6H2,1-2H3
InChIKeyUZUBQYDVXMIHGG-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.14
Rot. Bonds4

About [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate

[5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate (PubChem CID 171745610) has the molecular formula C14H17ClFNO4 and a molecular weight of 317.74 g/mol. Its IUPAC name is [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate.

Molecular Properties

Compound Name[5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate
PubChem CID171745610
Molecular FormulaC14H17ClFNO4
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name[5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate
SMILESCCOc1c(C(C)O)cc(Cl)c(F)c1OC(=O)N1CCC1
InChIInChI=1S/C14H17ClFNO4/c1-3-20-12-9(8(2)18)7-10(15)11(16)13(12)21-14(19)17-5-4-6-17/h7-8,18H,3-6H2,1-2H3
InChIKeyUZUBQYDVXMIHGG-UHFFFAOYSA-N
XLogP3.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate?
The IUPAC name of [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate (CID 171745610) is [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate.
What is the SMILES notation for [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate?
The canonical SMILES for [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate is CCOc1c(C(C)O)cc(Cl)c(F)c1OC(=O)N1CCC1.
What is the InChIKey of [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate?
The InChIKey is UZUBQYDVXMIHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO4/c1-3-20-12-9(8(2)18)7-10(15)11(16)13(12)21-14(19)17-5-4-6-17/h7-8,18H,3-6H2,1-2H3.
What are the key properties of [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate?
[5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate has a molecular weight of 317.74 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-ethoxy-6-fluoro-3-(1-hydroxyethyl)phenyl] azetidine-1-carboxylate is sourced from PubChem (CID 171745610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).