4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine

C10H8F4INO — CID 11100499

IUPAC4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine
SMILESFc1c(F)c(N2CCOCC2)c(F)c(F)c1I
InChIInChI=1S/C10H8F4INO/c11-5-7(13)10(8(14)6(12)9(5)15)16-1-3-17-4-2-16/h1-4H2
InChIKeyQJXWJTKODIFTFV-UHFFFAOYSA-N
MW361.08 g/mol
LogP2.68
Rot. Bonds1

About 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine

4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine (PubChem CID 11100499) has the molecular formula C10H8F4INO and a molecular weight of 361.08 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine
PubChem CID11100499
Molecular FormulaC10H8F4INO
Molecular Weight361.08 g/mol
Exact Mass360.96
IUPAC Name4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine
SMILESFc1c(F)c(N2CCOCC2)c(F)c(F)c1I
InChIInChI=1S/C10H8F4INO/c11-5-7(13)10(8(14)6(12)9(5)15)16-1-3-17-4-2-16/h1-4H2
InChIKeyQJXWJTKODIFTFV-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine?
The IUPAC name of 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine (CID 11100499) is 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine.
What is the SMILES notation for 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine?
The canonical SMILES for 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine is Fc1c(F)c(N2CCOCC2)c(F)c(F)c1I.
What is the InChIKey of 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine?
The InChIKey is QJXWJTKODIFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4INO/c11-5-7(13)10(8(14)6(12)9(5)15)16-1-3-17-4-2-16/h1-4H2.
What are the key properties of 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine?
4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine has a molecular weight of 361.08 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluoro-4-iodophenyl)morpholine is sourced from PubChem (CID 11100499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).