4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine

C11H15FINO — CID 163416044

IUPAC4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine
SMILESFC1=CC=C(CN2CCOCC2)CC1I
InChIInChI=1S/C11H15FINO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,11H,3-8H2
InChIKeyAEMZKBRVDYUKJR-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.31
Rot. Bonds2

About 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine

4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine (PubChem CID 163416044) has the molecular formula C11H15FINO and a molecular weight of 323.15 g/mol. Its IUPAC name is 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine
PubChem CID163416044
Molecular FormulaC11H15FINO
Molecular Weight323.15 g/mol
Exact Mass323.02
IUPAC Name4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine
SMILESFC1=CC=C(CN2CCOCC2)CC1I
InChIInChI=1S/C11H15FINO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,11H,3-8H2
InChIKeyAEMZKBRVDYUKJR-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine (CID 163416044) is 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine is FC1=CC=C(CN2CCOCC2)CC1I.
What is the InChIKey of 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine?
The InChIKey is AEMZKBRVDYUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FINO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,11H,3-8H2.
What are the key properties of 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine?
4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine has a molecular weight of 323.15 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 163416044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).