1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene

C9H7BrF2O — CID 122164417

IUPAC1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene
SMILESFC1(F)CC1Oc1ccc(Br)cc1
InChIInChI=1S/C9H7BrF2O/c10-6-1-3-7(4-2-6)13-8-5-9(8,11)12/h1-4,8H,5H2
InChIKeyAPGAHIHIJPLBKY-UHFFFAOYSA-N
MW249.05 g/mol
LogP3.24
Rot. Bonds2

About 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene

1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene (PubChem CID 122164417) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene.

Molecular Properties

Compound Name1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene
PubChem CID122164417
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene
SMILESFC1(F)CC1Oc1ccc(Br)cc1
InChIInChI=1S/C9H7BrF2O/c10-6-1-3-7(4-2-6)13-8-5-9(8,11)12/h1-4,8H,5H2
InChIKeyAPGAHIHIJPLBKY-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene?
The IUPAC name of 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene (CID 122164417) is 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene.
What is the SMILES notation for 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene?
The canonical SMILES for 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene is FC1(F)CC1Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene?
The InChIKey is APGAHIHIJPLBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-6-1-3-7(4-2-6)13-8-5-9(8,11)12/h1-4,8H,5H2.
What are the key properties of 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene?
1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene has a molecular weight of 249.05 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene is sourced from PubChem (CID 122164417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).