1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol

C10H12BrFO2 — CID 114885640

IUPAC1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1c(F)cccc1Br
InChIInChI=1S/C10H12BrFO2/c1-2-14-6-9(13)10-7(11)4-3-5-8(10)12/h3-5,9,13H,2,6H2,1H3
InChIKeyAYBQRXBVFPWQCM-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol

1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol (PubChem CID 114885640) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
PubChem CID114885640
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1c(F)cccc1Br
InChIInChI=1S/C10H12BrFO2/c1-2-14-6-9(13)10-7(11)4-3-5-8(10)12/h3-5,9,13H,2,6H2,1H3
InChIKeyAYBQRXBVFPWQCM-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol
CID 115818734
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
CID 131172063
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
CID 107893072

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol (CID 114885640) is 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol is CCOCC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol?
The InChIKey is AYBQRXBVFPWQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-2-14-6-9(13)10-7(11)4-3-5-8(10)12/h3-5,9,13H,2,6H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol?
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol has a molecular weight of 263.11 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol is sourced from PubChem (CID 114885640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).