2-(1-bromo-1-fluoroethoxy)propane

C5H10BrFO — CID 22003110

IUPAC2-(1-bromo-1-fluoroethoxy)propane
SMILESCC(C)OC(C)(F)Br
InChIInChI=1S/C5H10BrFO/c1-4(2)8-5(3,6)7/h4H,1-3H3
InChIKeyAWIRXZWFMZQWDS-UHFFFAOYSA-N
MW185.04 g/mol
LogP2.45
Rot. Bonds2

About 2-(1-bromo-1-fluoroethoxy)propane

2-(1-bromo-1-fluoroethoxy)propane (PubChem CID 22003110) has the molecular formula C5H10BrFO and a molecular weight of 185.04 g/mol. Its IUPAC name is 2-(1-bromo-1-fluoroethoxy)propane.

Molecular Properties

Compound Name2-(1-bromo-1-fluoroethoxy)propane
PubChem CID22003110
Molecular FormulaC5H10BrFO
Molecular Weight185.04 g/mol
Exact Mass183.99
IUPAC Name2-(1-bromo-1-fluoroethoxy)propane
SMILESCC(C)OC(C)(F)Br
InChIInChI=1S/C5H10BrFO/c1-4(2)8-5(3,6)7/h4H,1-3H3
InChIKeyAWIRXZWFMZQWDS-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.04
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Bromoethoxy)propane
CID 3830823
2-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 15921667
1-Bromo-1-fluoro-1-propan-2-yloxybutane
CID 22003101
2-(1-Fluoroethoxy)propane
CID 54398510
2-(2-Fluoroethoxy)propane
CID 57832472
2-Fluoro-2-propan-2-yloxypropane
CID 58366789
1-Fluoro-3-propan-2-yloxypropane
CID 59139268
2-(3-Bromopropoxy)-1,1,1-trifluoropropane
CID 66275232
2-Fluoro-1-propan-2-yloxypropane
CID 89068232
2-(2-Fluoroethoxy)butane
CID 90696578
2-Ethoxy-1-fluoropropane
CID 123529681
(2R)-2-[(1S)-1-fluoropropoxy]butane
CID 126612497

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-1-fluoroethoxy)propane?
The IUPAC name of 2-(1-bromo-1-fluoroethoxy)propane (CID 22003110) is 2-(1-bromo-1-fluoroethoxy)propane.
What is the SMILES notation for 2-(1-bromo-1-fluoroethoxy)propane?
The canonical SMILES for 2-(1-bromo-1-fluoroethoxy)propane is CC(C)OC(C)(F)Br.
What is the InChIKey of 2-(1-bromo-1-fluoroethoxy)propane?
The InChIKey is AWIRXZWFMZQWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrFO/c1-4(2)8-5(3,6)7/h4H,1-3H3.
What are the key properties of 2-(1-bromo-1-fluoroethoxy)propane?
2-(1-bromo-1-fluoroethoxy)propane has a molecular weight of 185.04 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-1-fluoroethoxy)propane is sourced from PubChem (CID 22003110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).