2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine

C13H13ClFN3O — CID 114717769

IUPAC2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
SMILESFc1ccc(-n2cncc2C2CNCCO2)cc1Cl
InChIInChI=1S/C13H13ClFN3O/c14-10-5-9(1-2-11(10)15)18-8-17-6-12(18)13-7-16-3-4-19-13/h1-2,5-6,8,13,16H,3-4,7H2
InChIKeyKXMGQLCAQVMTLU-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.33
Rot. Bonds2

About 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine

2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine (PubChem CID 114717769) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
PubChem CID114717769
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
SMILESFc1ccc(-n2cncc2C2CNCCO2)cc1Cl
InChIInChI=1S/C13H13ClFN3O/c14-10-5-9(1-2-11(10)15)18-8-17-6-12(18)13-7-16-3-4-19-13/h1-2,5-6,8,13,16H,3-4,7H2
InChIKeyKXMGQLCAQVMTLU-UHFFFAOYSA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine (CID 114717769) is 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine is Fc1ccc(-n2cncc2C2CNCCO2)cc1Cl.
What is the InChIKey of 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine?
The InChIKey is KXMGQLCAQVMTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-10-5-9(1-2-11(10)15)18-8-17-6-12(18)13-7-16-3-4-19-13/h1-2,5-6,8,13,16H,3-4,7H2.
What are the key properties of 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine?
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine has a molecular weight of 281.72 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114717769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).