1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol

C12H16BrFO — CID 62605952

IUPAC1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFO/c1-12(2,3)11(15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11,15H,6H2,1-3H3
InChIKeyKHBSJDDBMAMQTJ-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.54
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol

1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol (PubChem CID 62605952) has the molecular formula C12H16BrFO and a molecular weight of 275.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
PubChem CID62605952
Molecular FormulaC12H16BrFO
Molecular Weight275.16 g/mol
Exact Mass274.04
IUPAC Name1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFO/c1-12(2,3)11(15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11,15H,6H2,1-3H3
InChIKeyKHBSJDDBMAMQTJ-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575189
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713553
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299
2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
CID 63520977
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712395
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanol
CID 62607396
1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053380
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
1-(2-bromo-4-fluorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967990

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol (CID 62605952) is 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is KHBSJDDBMAMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO/c1-12(2,3)11(15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11,15H,6H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol?
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 275.16 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 62605952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).