5-(5-bromo-2-fluorophenyl)pentan-2-ol

C11H14BrFO — CID 64514586

IUPAC5-(5-bromo-2-fluorophenyl)pentan-2-ol
SMILESCC(O)CCCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO/c1-8(14)3-2-4-9-7-10(12)5-6-11(9)13/h5-8,14H,2-4H2,1H3
InChIKeyFLXSWKUITRCDLV-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.29
Rot. Bonds4

About 5-(5-bromo-2-fluorophenyl)pentan-2-ol

5-(5-bromo-2-fluorophenyl)pentan-2-ol (PubChem CID 64514586) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)pentan-2-ol
PubChem CID64514586
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name5-(5-bromo-2-fluorophenyl)pentan-2-ol
SMILESCC(O)CCCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO/c1-8(14)3-2-4-9-7-10(12)5-6-11(9)13/h5-8,14H,2-4H2,1H3
InChIKeyFLXSWKUITRCDLV-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
CID 83933937
1-(5-bromo-2-fluorophenyl)hexane-3,4-diol
CID 83933938
6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
CID 64515603
4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 64505603
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
4-bromo-2-(3-hydroxybutyl)phenol
CID 134275003
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601604
4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666270
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylbutan-2-ol
CID 115784947
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)pentan-2-ol?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)pentan-2-ol (CID 64514586) is 5-(5-bromo-2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)pentan-2-ol?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)pentan-2-ol is CC(O)CCCc1cc(Br)ccc1F.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)pentan-2-ol?
The InChIKey is FLXSWKUITRCDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-8(14)3-2-4-9-7-10(12)5-6-11(9)13/h5-8,14H,2-4H2,1H3.
What are the key properties of 5-(5-bromo-2-fluorophenyl)pentan-2-ol?
5-(5-bromo-2-fluorophenyl)pentan-2-ol has a molecular weight of 261.13 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 64514586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).