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

C5H5BrF6O — CID 102685235

IUPAC2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(OCCBr)C(F)(F)F
InChIInChI=1S/C5H5BrF6O/c6-1-2-13-3(4(7,8)9)5(10,11)12/h3H,1-2H2
InChIKeyMMQPDILGQXMSFS-UHFFFAOYSA-N
MW274.99 g/mol
LogP2.89
Rot. Bonds3

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

2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane (PubChem CID 102685235) has the molecular formula C5H5BrF6O and a molecular weight of 274.99 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane
PubChem CID102685235
Molecular FormulaC5H5BrF6O
Molecular Weight274.99 g/mol
Exact Mass273.94
IUPAC Name2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(OCCBr)C(F)(F)F
InChIInChI=1S/C5H5BrF6O/c6-1-2-13-3(4(7,8)9)5(10,11)12/h3H,1-2H2
InChIKeyMMQPDILGQXMSFS-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.99
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane (CID 102685235) is 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane is FC(F)(F)C(OCCBr)C(F)(F)F.
What is the InChIKey of 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is MMQPDILGQXMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF6O/c6-1-2-13-3(4(7,8)9)5(10,11)12/h3H,1-2H2.
What are the key properties of 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane?
2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 274.99 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 102685235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).