5-(5-bromo-2-fluorophenyl)pentane-2,3-diol

C11H14BrFO2 — CID 83933937

IUPAC5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
SMILESCC(O)C(O)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO2/c1-7(14)11(15)5-2-8-6-9(12)3-4-10(8)13/h3-4,6-7,11,14-15H,2,5H2,1H3
InChIKeyCVRIRSMUNMUVOU-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.26
Rot. Bonds4

About 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol

5-(5-bromo-2-fluorophenyl)pentane-2,3-diol (PubChem CID 83933937) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
PubChem CID83933937
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
SMILESCC(O)C(O)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO2/c1-7(14)11(15)5-2-8-6-9(12)3-4-10(8)13/h3-4,6-7,11,14-15H,2,5H2,1H3
InChIKeyCVRIRSMUNMUVOU-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)hexane-3,4-diol
CID 83933938
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
5-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 64514586
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666270
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylbutan-2-ol
CID 115784947
4-bromo-2-but-3-ynyl-1-fluorobenzene
CID 83933892
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
4-[(5-bromo-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66234398
6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
CID 64515603

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol (CID 83933937) is 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol is CC(O)C(O)CCc1cc(Br)ccc1F.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol?
The InChIKey is CVRIRSMUNMUVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-7(14)11(15)5-2-8-6-9(12)3-4-10(8)13/h3-4,6-7,11,14-15H,2,5H2,1H3.
What are the key properties of 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol?
5-(5-bromo-2-fluorophenyl)pentane-2,3-diol has a molecular weight of 277.13 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)pentane-2,3-diol is sourced from PubChem (CID 83933937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).