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

C5H6BrF5O — CID 75525665

IUPAC3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane
SMILESFC(F)(F)C(F)(F)COCCBr
InChIInChI=1S/C5H6BrF5O/c6-1-2-12-3-4(7,8)5(9,10)11/h1-3H2
InChIKeyHGBADQYTORWLND-UHFFFAOYSA-N
MW257.00 g/mol
LogP2.60
Rot. Bonds4

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

3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane (PubChem CID 75525665) has the molecular formula C5H6BrF5O and a molecular weight of 257.00 g/mol. Its IUPAC name is 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane
PubChem CID75525665
Molecular FormulaC5H6BrF5O
Molecular Weight257.00 g/mol
Exact Mass255.95
IUPAC Name3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane
SMILESFC(F)(F)C(F)(F)COCCBr
InChIInChI=1S/C5H6BrF5O/c6-1-2-12-3-4(7,8)5(9,10)11/h1-3H2
InChIKeyHGBADQYTORWLND-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.00
LogP ≤ 52.60
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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Related Compounds

1-Bromo-4-[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]butane
CID 53428088
2-Bromo-1,1,2-trifluoroethyl ethyl ether
CID 136222
2-(2-Bromoethoxy)-1,1,1-trifluoroethane
CID 19828971
3-(2-Bromoethoxy)-1,1,2,2-tetrafluoropropane
CID 29004764
1-Bromo-3-(trifluoromethoxy)propane
CID 53255476
2-(2-Bromoethoxy)-1,1-difluoroethane
CID 75525671
2-Bromo-1-ethoxy-1,1-difluoroethane
CID 119095764
1-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 134920416
2-(2-Bromoethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59650117
1-(2-Bromo-1,1-difluoroethoxy)propane
CID 134920415
2-(1,2-Dibromoethoxy)-1,1,1-trifluoroethane
CID 272687
(2S)-2-bromo-1-ethoxy-1,1,2-trifluoroethane
CID 637130

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane (CID 75525665) is 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane is FC(F)(F)C(F)(F)COCCBr.
What is the InChIKey of 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane?
The InChIKey is HGBADQYTORWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF5O/c6-1-2-12-3-4(7,8)5(9,10)11/h1-3H2.
What are the key properties of 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane?
3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane has a molecular weight of 257.00 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 75525665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).