(E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine

C11H12FIN2O — CID 143894815

IUPAC(E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine
SMILESFc1cccc(C2COCCN2/C=N/I)c1
InChIInChI=1S/C11H12FIN2O/c12-10-3-1-2-9(6-10)11-7-16-5-4-15(11)8-14-13/h1-3,6,8,11H,4-5,7H2/b14-8+
InChIKeyDFFKBYXPVVQOPA-RIYZIHGNSA-N
MW334.13 g/mol
LogP2.58
Rot. Bonds2

About (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine

(E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine (PubChem CID 143894815) has the molecular formula C11H12FIN2O and a molecular weight of 334.13 g/mol. Its IUPAC name is (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine.

Molecular Properties

Compound Name(E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine
PubChem CID143894815
Molecular FormulaC11H12FIN2O
Molecular Weight334.13 g/mol
Exact Mass334.00
IUPAC Name(E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine
SMILESFc1cccc(C2COCCN2/C=N/I)c1
InChIInChI=1S/C11H12FIN2O/c12-10-3-1-2-9(6-10)11-7-16-5-4-15(11)8-14-13/h1-3,6,8,11H,4-5,7H2/b14-8+
InChIKeyDFFKBYXPVVQOPA-RIYZIHGNSA-N
XLogP2.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-4-pyridin-4-ylsulfonylmorpholine
CID 154763427
[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone
CID 136557448
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389
4-(3-fluorophenyl)oxan-3-amine
CID 84773511
6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941872
ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 91412882
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120736841
2-[3-(3-fluorophenoxy)phenyl]-1,3-dioxolane
CID 21071411
4-(3-fluorophenyl)-1,2-oxazolidine
CID 105433367
4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine
CID 126822840

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine?
The IUPAC name of (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine (CID 143894815) is (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine.
What is the SMILES notation for (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine?
The canonical SMILES for (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine is Fc1cccc(C2COCCN2/C=N/I)c1.
What is the InChIKey of (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine?
The InChIKey is DFFKBYXPVVQOPA-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H12FIN2O/c12-10-3-1-2-9(6-10)11-7-16-5-4-15(11)8-14-13/h1-3,6,8,11H,4-5,7H2/b14-8+.
What are the key properties of (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine?
(E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine has a molecular weight of 334.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine is sourced from PubChem (CID 143894815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).