(2-bromo-2-fluoroethoxy)benzene

C8H8BrFO — CID 175098027

IUPAC(2-bromo-2-fluoroethoxy)benzene
SMILESFC(Br)COc1ccccc1
InChIInChI=1S/C8H8BrFO/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyNGNQNHBHRKPAMT-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.76
Rot. Bonds3

About (2-bromo-2-fluoroethoxy)benzene

(2-bromo-2-fluoroethoxy)benzene (PubChem CID 175098027) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is (2-bromo-2-fluoroethoxy)benzene.

Molecular Properties

Compound Name(2-bromo-2-fluoroethoxy)benzene
PubChem CID175098027
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name(2-bromo-2-fluoroethoxy)benzene
SMILESFC(Br)COc1ccccc1
InChIInChI=1S/C8H8BrFO/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyNGNQNHBHRKPAMT-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.76
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-bromo-3-fluoropropoxy)benzene
CID 101027846
2,3-difluoropropoxybenzene
CID 141126062
2,3-difluorobutoxybenzene
CID 53412752
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
2,5-dibromohexoxybenzene
CID 173161444
[(2S,3R)-2,3-difluorohexoxy]benzene
CID 97103069
CID 142401703
CID 142401703
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of (2-bromo-2-fluoroethoxy)benzene?
The IUPAC name of (2-bromo-2-fluoroethoxy)benzene (CID 175098027) is (2-bromo-2-fluoroethoxy)benzene.
What is the SMILES notation for (2-bromo-2-fluoroethoxy)benzene?
The canonical SMILES for (2-bromo-2-fluoroethoxy)benzene is FC(Br)COc1ccccc1.
What is the InChIKey of (2-bromo-2-fluoroethoxy)benzene?
The InChIKey is NGNQNHBHRKPAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of (2-bromo-2-fluoroethoxy)benzene?
(2-bromo-2-fluoroethoxy)benzene has a molecular weight of 219.05 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-2-fluoroethoxy)benzene is sourced from PubChem (CID 175098027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).