3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane

C7H10F2I2O — CID 11025809

IUPAC3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane
SMILESFC(F)(I)CC1COCC1CI
InChIInChI=1S/C7H10F2I2O/c8-7(9,11)1-5-3-12-4-6(5)2-10/h5-6H,1-4H2
InChIKeyDBMWQCOYDLJXKV-UHFFFAOYSA-N
MW401.96 g/mol
LogP3.10
Rot. Bonds3

About 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane

3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane (PubChem CID 11025809) has the molecular formula C7H10F2I2O and a molecular weight of 401.96 g/mol. Its IUPAC name is 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane.

Molecular Properties

Compound Name3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane
PubChem CID11025809
Molecular FormulaC7H10F2I2O
Molecular Weight401.96 g/mol
Exact Mass401.88
IUPAC Name3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane
SMILESFC(F)(I)CC1COCC1CI
InChIInChI=1S/C7H10F2I2O/c8-7(9,11)1-5-3-12-4-6(5)2-10/h5-6H,1-4H2
InChIKeyDBMWQCOYDLJXKV-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane?
The IUPAC name of 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane (CID 11025809) is 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane.
What is the SMILES notation for 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane?
The canonical SMILES for 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane is FC(F)(I)CC1COCC1CI.
What is the InChIKey of 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane?
The InChIKey is DBMWQCOYDLJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2I2O/c8-7(9,11)1-5-3-12-4-6(5)2-10/h5-6H,1-4H2.
What are the key properties of 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane?
3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane has a molecular weight of 401.96 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-2-iodoethyl)-4-(iodomethyl)oxolane is sourced from PubChem (CID 11025809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).