1-(2-bromo-6-fluorophenyl)propan-1-ol

C9H10BrFO — CID 58089861

IUPAC1-(2-bromo-6-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cccc1Br
InChIInChI=1S/C9H10BrFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3
InChIKeyZNUAJDXUYCFGKI-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.03
Rot. Bonds2

About 1-(2-bromo-6-fluorophenyl)propan-1-ol

1-(2-bromo-6-fluorophenyl)propan-1-ol (PubChem CID 58089861) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)propan-1-ol
PubChem CID58089861
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name1-(2-bromo-6-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cccc1Br
InChIInChI=1S/C9H10BrFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3
InChIKeyZNUAJDXUYCFGKI-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
CID 131172063
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
CID 171366034
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
CID 107893072
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)propan-1-ol (CID 58089861) is 1-(2-bromo-6-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)propan-1-ol is CCC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)propan-1-ol?
The InChIKey is ZNUAJDXUYCFGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)propan-1-ol?
1-(2-bromo-6-fluorophenyl)propan-1-ol has a molecular weight of 233.08 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)propan-1-ol is sourced from PubChem (CID 58089861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).