[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite

C12H13FINO3 — CID 146329829

IUPAC[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite
SMILESCc1cc(F)c(C(=O)N2CCOCC2)cc1OI
InChIInChI=1S/C12H13FINO3/c1-8-6-10(13)9(7-11(8)18-14)12(16)15-2-4-17-5-3-15/h6-7H,2-5H2,1H3
InChIKeyQXAYLSABXCMYEX-UHFFFAOYSA-N
MW365.14 g/mol
LogP2.34
Rot. Bonds2

About [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite

[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite (PubChem CID 146329829) has the molecular formula C12H13FINO3 and a molecular weight of 365.14 g/mol. Its IUPAC name is [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite.

Molecular Properties

Compound Name[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite
PubChem CID146329829
Molecular FormulaC12H13FINO3
Molecular Weight365.14 g/mol
Exact Mass364.99
IUPAC Name[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite
SMILESCc1cc(F)c(C(=O)N2CCOCC2)cc1OI
InChIInChI=1S/C12H13FINO3/c1-8-6-10(13)9(7-11(8)18-14)12(16)15-2-4-17-5-3-15/h6-7H,2-5H2,1H3
InChIKeyQXAYLSABXCMYEX-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65371595
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 81478255
(2-fluoro-5-hydroxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 171906066
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite?
The IUPAC name of [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite (CID 146329829) is [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite.
What is the SMILES notation for [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite?
The canonical SMILES for [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite is Cc1cc(F)c(C(=O)N2CCOCC2)cc1OI.
What is the InChIKey of [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite?
The InChIKey is QXAYLSABXCMYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FINO3/c1-8-6-10(13)9(7-11(8)18-14)12(16)15-2-4-17-5-3-15/h6-7H,2-5H2,1H3.
What are the key properties of [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite?
[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite has a molecular weight of 365.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite is sourced from PubChem (CID 146329829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).