3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane

C5H7BrF4O — CID 29004764

IUPAC3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane
SMILESFC(F)C(F)(F)COCCBr
InChIInChI=1S/C5H7BrF4O/c6-1-2-11-3-5(9,10)4(7)8/h4H,1-3H2
InChIKeyJQDZIQKCZXIGEI-UHFFFAOYSA-N
MW239.01 g/mol
LogP2.30
Rot. Bonds5

About 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane

3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane (PubChem CID 29004764) has the molecular formula C5H7BrF4O and a molecular weight of 239.01 g/mol. Its IUPAC name is 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane
PubChem CID29004764
Molecular FormulaC5H7BrF4O
Molecular Weight239.01 g/mol
Exact Mass237.96
IUPAC Name3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane
SMILESFC(F)C(F)(F)COCCBr
InChIInChI=1S/C5H7BrF4O/c6-1-2-11-3-5(9,10)4(7)8/h4H,1-3H2
InChIKeyJQDZIQKCZXIGEI-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane (CID 29004764) is 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane is FC(F)C(F)(F)COCCBr.
What is the InChIKey of 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane?
The InChIKey is JQDZIQKCZXIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrF4O/c6-1-2-11-3-5(9,10)4(7)8/h4H,1-3H2.
What are the key properties of 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane?
3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane has a molecular weight of 239.01 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 29004764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).