1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine

C6H9F2I2NO — CID 166818799

IUPAC1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine
SMILESFC1(F)CN(CCOC(I)I)C1
InChIInChI=1S/C6H9F2I2NO/c7-6(8)3-11(4-6)1-2-12-5(9)10/h5H,1-4H2
InChIKeyCRLALWVRYDHFNO-UHFFFAOYSA-N
MW402.95 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine

1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine (PubChem CID 166818799) has the molecular formula C6H9F2I2NO and a molecular weight of 402.95 g/mol. Its IUPAC name is 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine
PubChem CID166818799
Molecular FormulaC6H9F2I2NO
Molecular Weight402.95 g/mol
Exact Mass402.87
IUPAC Name1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine
SMILESFC1(F)CN(CCOC(I)I)C1
InChIInChI=1S/C6H9F2I2NO/c7-6(8)3-11(4-6)1-2-12-5(9)10/h5H,1-4H2
InChIKeyCRLALWVRYDHFNO-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 52.11
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 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine?
The IUPAC name of 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine (CID 166818799) is 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine is FC1(F)CN(CCOC(I)I)C1.
What is the InChIKey of 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine?
The InChIKey is CRLALWVRYDHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2I2NO/c7-6(8)3-11(4-6)1-2-12-5(9)10/h5H,1-4H2.
What are the key properties of 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine?
1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine has a molecular weight of 402.95 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diiodomethoxy)ethyl]-3,3-difluoroazetidine is sourced from PubChem (CID 166818799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).