[3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite

C9H14F2IN3O2 — CID 121246895

IUPAC[3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite
SMILESO=C(C1NCCN1)N1CCC(OI)C(F)(F)C1
InChIInChI=1S/C9H14F2IN3O2/c10-9(11)5-15(4-1-6(9)17-12)8(16)7-13-2-3-14-7/h6-7,13-14H,1-5H2
InChIKeyRWGUAPCUYUFKAA-UHFFFAOYSA-N
MW361.13 g/mol
LogP0.11
Rot. Bonds2

About [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite

[3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite (PubChem CID 121246895) has the molecular formula C9H14F2IN3O2 and a molecular weight of 361.13 g/mol. Its IUPAC name is [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite
PubChem CID121246895
Molecular FormulaC9H14F2IN3O2
Molecular Weight361.13 g/mol
Exact Mass361.01
IUPAC Name[3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite
SMILESO=C(C1NCCN1)N1CCC(OI)C(F)(F)C1
InChIInChI=1S/C9H14F2IN3O2/c10-9(11)5-15(4-1-6(9)17-12)8(16)7-13-2-3-14-7/h6-7,13-14H,1-5H2
InChIKeyRWGUAPCUYUFKAA-UHFFFAOYSA-N
XLogP0.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite?
The IUPAC name of [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite (CID 121246895) is [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite.
What is the SMILES notation for [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite?
The canonical SMILES for [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite is O=C(C1NCCN1)N1CCC(OI)C(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite?
The InChIKey is RWGUAPCUYUFKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2IN3O2/c10-9(11)5-15(4-1-6(9)17-12)8(16)7-13-2-3-14-7/h6-7,13-14H,1-5H2.
What are the key properties of [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite?
[3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite has a molecular weight of 361.13 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(imidazolidine-2-carbonyl)piperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).