1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol

C13H18BrFO — CID 114885662

IUPAC1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1c(F)cccc1Br
InChIInChI=1S/C13H18BrFO/c1-13(2,3)8-7-11(16)12-9(14)5-4-6-10(12)15/h4-6,11,16H,7-8H2,1-3H3
InChIKeyJROUSWITXNRMEA-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.45
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol

1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol (PubChem CID 114885662) has the molecular formula C13H18BrFO and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
PubChem CID114885662
Molecular FormulaC13H18BrFO
Molecular Weight289.19 g/mol
Exact Mass288.05
IUPAC Name1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1c(F)cccc1Br
InChIInChI=1S/C13H18BrFO/c1-13(2,3)8-7-11(16)12-9(14)5-4-6-10(12)15/h4-6,11,16H,7-8H2,1-3H3
InChIKeyJROUSWITXNRMEA-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
CID 130921663
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
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-(4-methoxyphenyl)propan-1-ol
CID 114885667
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)-3-methylidenepentan-1-ol
CID 114885556
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 114885636

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol (CID 114885662) is 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is JROUSWITXNRMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFO/c1-13(2,3)8-7-11(16)12-9(14)5-4-6-10(12)15/h4-6,11,16H,7-8H2,1-3H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol?
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 289.19 g/mol, XLogP of 4.45, 3 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)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114885662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).