1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol

C11H14BrFO — CID 62608389

IUPAC1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO/c1-7(2)11(14)6-8-5-9(12)3-4-10(8)13/h3-5,7,11,14H,6H2,1-2H3
InChIKeyMFLVNKXRNPZGKM-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.15
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol

1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 62608389) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
PubChem CID62608389
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO/c1-7(2)11(14)6-8-5-9(12)3-4-10(8)13/h3-5,7,11,14H,6H2,1-2H3
InChIKeyMFLVNKXRNPZGKM-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 104846115
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
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1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol (CID 62608389) is 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol is CC(C)C(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is MFLVNKXRNPZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-7(2)11(14)6-8-5-9(12)3-4-10(8)13/h3-5,7,11,14H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol?
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol has a molecular weight of 261.13 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 62608389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).