3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane

C8H10Br2F4O — CID 10066942

IUPAC3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane
SMILESFC(F)(Br)C(F)(F)CC1COCC1CBr
InChIInChI=1S/C8H10Br2F4O/c9-2-6-4-15-3-5(6)1-7(11,12)8(10,13)14/h5-6H,1-4H2
InChIKeyDMEWDACLGZCRAH-UHFFFAOYSA-N
MW357.97 g/mol
LogP3.66
Rot. Bonds4

About 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane

3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane (PubChem CID 10066942) has the molecular formula C8H10Br2F4O and a molecular weight of 357.97 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane
PubChem CID10066942
Molecular FormulaC8H10Br2F4O
Molecular Weight357.97 g/mol
Exact Mass355.90
IUPAC Name3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane
SMILESFC(F)(Br)C(F)(F)CC1COCC1CBr
InChIInChI=1S/C8H10Br2F4O/c9-2-6-4-15-3-5(6)1-7(11,12)8(10,13)14/h5-6H,1-4H2
InChIKeyDMEWDACLGZCRAH-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane?
The IUPAC name of 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane (CID 10066942) is 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane is FC(F)(Br)C(F)(F)CC1COCC1CBr.
What is the InChIKey of 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane?
The InChIKey is DMEWDACLGZCRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2F4O/c9-2-6-4-15-3-5(6)1-7(11,12)8(10,13)14/h5-6H,1-4H2.
What are the key properties of 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane?
3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane has a molecular weight of 357.97 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane is sourced from PubChem (CID 10066942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).