4-ethoxy-1,1-difluoro-1,3-diiodobutane

C6H10F2I2O — CID 10916126

IUPAC4-ethoxy-1,1-difluoro-1,3-diiodobutane
SMILESCCOCC(I)CC(F)(F)I
InChIInChI=1S/C6H10F2I2O/c1-2-11-4-5(9)3-6(7,8)10/h5H,2-4H2,1H3
InChIKeyTUNVCNWJFISEPK-UHFFFAOYSA-N
MW389.95 g/mol
LogP3.24
Rot. Bonds5

About 4-ethoxy-1,1-difluoro-1,3-diiodobutane

4-ethoxy-1,1-difluoro-1,3-diiodobutane (PubChem CID 10916126) has the molecular formula C6H10F2I2O and a molecular weight of 389.95 g/mol. Its IUPAC name is 4-ethoxy-1,1-difluoro-1,3-diiodobutane.

Molecular Properties

Compound Name4-ethoxy-1,1-difluoro-1,3-diiodobutane
PubChem CID10916126
Molecular FormulaC6H10F2I2O
Molecular Weight389.95 g/mol
Exact Mass389.88
IUPAC Name4-ethoxy-1,1-difluoro-1,3-diiodobutane
SMILESCCOCC(I)CC(F)(F)I
InChIInChI=1S/C6H10F2I2O/c1-2-11-4-5(9)3-6(7,8)10/h5H,2-4H2,1H3
InChIKeyTUNVCNWJFISEPK-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 53.24
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 4-ethoxy-1,1-difluoro-1,3-diiodobutane?
The IUPAC name of 4-ethoxy-1,1-difluoro-1,3-diiodobutane (CID 10916126) is 4-ethoxy-1,1-difluoro-1,3-diiodobutane.
What is the SMILES notation for 4-ethoxy-1,1-difluoro-1,3-diiodobutane?
The canonical SMILES for 4-ethoxy-1,1-difluoro-1,3-diiodobutane is CCOCC(I)CC(F)(F)I.
What is the InChIKey of 4-ethoxy-1,1-difluoro-1,3-diiodobutane?
The InChIKey is TUNVCNWJFISEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2I2O/c1-2-11-4-5(9)3-6(7,8)10/h5H,2-4H2,1H3.
What are the key properties of 4-ethoxy-1,1-difluoro-1,3-diiodobutane?
4-ethoxy-1,1-difluoro-1,3-diiodobutane has a molecular weight of 389.95 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1-difluoro-1,3-diiodobutane is sourced from PubChem (CID 10916126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).