4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine

C13H15ClF2N2O2 — CID 177233603

IUPAC4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine
SMILESFC1(F)CC(Oc2c(N3CCOCC3)ccnc2Cl)C1
InChIInChI=1S/C13H15ClF2N2O2/c14-12-11(20-9-7-13(15,16)8-9)10(1-2-17-12)18-3-5-19-6-4-18/h1-2,9H,3-8H2
InChIKeyMRUBJYTYJFQXHI-UHFFFAOYSA-N
MW304.72 g/mol
LogP2.75
Rot. Bonds3

About 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine

4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine (PubChem CID 177233603) has the molecular formula C13H15ClF2N2O2 and a molecular weight of 304.72 g/mol. Its IUPAC name is 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine
PubChem CID177233603
Molecular FormulaC13H15ClF2N2O2
Molecular Weight304.72 g/mol
Exact Mass304.08
IUPAC Name4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine
SMILESFC1(F)CC(Oc2c(N3CCOCC3)ccnc2Cl)C1
InChIInChI=1S/C13H15ClF2N2O2/c14-12-11(20-9-7-13(15,16)8-9)10(1-2-17-12)18-3-5-19-6-4-18/h1-2,9H,3-8H2
InChIKeyMRUBJYTYJFQXHI-UHFFFAOYSA-N
XLogP2.75
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine (CID 177233603) is 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine is FC1(F)CC(Oc2c(N3CCOCC3)ccnc2Cl)C1.
What is the InChIKey of 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine?
The InChIKey is MRUBJYTYJFQXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2/c14-12-11(20-9-7-13(15,16)8-9)10(1-2-17-12)18-3-5-19-6-4-18/h1-2,9H,3-8H2.
What are the key properties of 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine?
4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine has a molecular weight of 304.72 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine is sourced from PubChem (CID 177233603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).