3-iodo-4-(3,3,3-trifluoropropoxy)oxolane

C7H10F3IO2 — CID 114775005

IUPAC3-iodo-4-(3,3,3-trifluoropropoxy)oxolane
SMILESFC(F)(F)CCOC1COCC1I
InChIInChI=1S/C7H10F3IO2/c8-7(9,10)1-2-13-6-4-12-3-5(6)11/h5-6H,1-4H2
InChIKeyFCMNKFDNYMLPQU-UHFFFAOYSA-N
MW310.05 g/mol
LogP2.16
Rot. Bonds3

About 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane

3-iodo-4-(3,3,3-trifluoropropoxy)oxolane (PubChem CID 114775005) has the molecular formula C7H10F3IO2 and a molecular weight of 310.05 g/mol. Its IUPAC name is 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane.

Molecular Properties

Compound Name3-iodo-4-(3,3,3-trifluoropropoxy)oxolane
PubChem CID114775005
Molecular FormulaC7H10F3IO2
Molecular Weight310.05 g/mol
Exact Mass309.97
IUPAC Name3-iodo-4-(3,3,3-trifluoropropoxy)oxolane
SMILESFC(F)(F)CCOC1COCC1I
InChIInChI=1S/C7H10F3IO2/c8-7(9,10)1-2-13-6-4-12-3-5(6)11/h5-6H,1-4H2
InChIKeyFCMNKFDNYMLPQU-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.05
LogP ≤ 52.16
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 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane?
The IUPAC name of 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane (CID 114775005) is 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane.
What is the SMILES notation for 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane?
The canonical SMILES for 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane is FC(F)(F)CCOC1COCC1I.
What is the InChIKey of 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane?
The InChIKey is FCMNKFDNYMLPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3IO2/c8-7(9,10)1-2-13-6-4-12-3-5(6)11/h5-6H,1-4H2.
What are the key properties of 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane?
3-iodo-4-(3,3,3-trifluoropropoxy)oxolane has a molecular weight of 310.05 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(3,3,3-trifluoropropoxy)oxolane is sourced from PubChem (CID 114775005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).