6,6-difluoro-4-iodo-1,4-oxazepane

C5H8F2INO — CID 147262160

IUPAC6,6-difluoro-4-iodo-1,4-oxazepane
SMILESFC1(F)COCCN(I)C1
InChIInChI=1S/C5H8F2INO/c6-5(7)3-9(8)1-2-10-4-5/h1-4H2
InChIKeyCOTVLUSENUVRPK-UHFFFAOYSA-N
MW263.02 g/mol
LogP1.30
Rot. Bonds

About 6,6-difluoro-4-iodo-1,4-oxazepane

6,6-difluoro-4-iodo-1,4-oxazepane (PubChem CID 147262160) has the molecular formula C5H8F2INO and a molecular weight of 263.02 g/mol. Its IUPAC name is 6,6-difluoro-4-iodo-1,4-oxazepane.

Molecular Properties

Compound Name6,6-difluoro-4-iodo-1,4-oxazepane
PubChem CID147262160
Molecular FormulaC5H8F2INO
Molecular Weight263.02 g/mol
Exact Mass262.96
IUPAC Name6,6-difluoro-4-iodo-1,4-oxazepane
SMILESFC1(F)COCCN(I)C1
InChIInChI=1S/C5H8F2INO/c6-5(7)3-9(8)1-2-10-4-5/h1-4H2
InChIKeyCOTVLUSENUVRPK-UHFFFAOYSA-N
XLogP1.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.02
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-4-iodo-1,4-oxazepane?
The IUPAC name of 6,6-difluoro-4-iodo-1,4-oxazepane (CID 147262160) is 6,6-difluoro-4-iodo-1,4-oxazepane.
What is the SMILES notation for 6,6-difluoro-4-iodo-1,4-oxazepane?
The canonical SMILES for 6,6-difluoro-4-iodo-1,4-oxazepane is FC1(F)COCCN(I)C1.
What is the InChIKey of 6,6-difluoro-4-iodo-1,4-oxazepane?
The InChIKey is COTVLUSENUVRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2INO/c6-5(7)3-9(8)1-2-10-4-5/h1-4H2.
What are the key properties of 6,6-difluoro-4-iodo-1,4-oxazepane?
6,6-difluoro-4-iodo-1,4-oxazepane has a molecular weight of 263.02 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-4-iodo-1,4-oxazepane is sourced from PubChem (CID 147262160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).