5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene

C10H11BrF2O — CID 18446944

IUPAC5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene
SMILESCC[C@H](C)Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2O/c1-3-6(2)14-10-8(12)4-7(11)5-9(10)13/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyHUCQBOWWSNTHMM-LURJTMIESA-N
MW265.10 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene

5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene (PubChem CID 18446944) has the molecular formula C10H11BrF2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene
PubChem CID18446944
Molecular FormulaC10H11BrF2O
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene
SMILESCC[C@H](C)Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2O/c1-3-6(2)14-10-8(12)4-7(11)5-9(10)13/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyHUCQBOWWSNTHMM-LURJTMIESA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene (CID 18446944) is 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene is CC[C@H](C)Oc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene?
The InChIKey is HUCQBOWWSNTHMM-LURJTMIESA-N. The full InChI is InChI=1S/C10H11BrF2O/c1-3-6(2)14-10-8(12)4-7(11)5-9(10)13/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene?
5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene has a molecular weight of 265.10 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S)-butan-2-yl]oxy-1,3-difluorobenzene is sourced from PubChem (CID 18446944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).