1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene

C9H6BrClF2 — CID 172992904

IUPAC1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene
SMILESFC1(F)CC1c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H6BrClF2/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2
InChIKeyOMEMTOPPVXTWQA-UHFFFAOYSA-N
MW267.50 g/mol
LogP4.23
Rot. Bonds1

About 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene

1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene (PubChem CID 172992904) has the molecular formula C9H6BrClF2 and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene
PubChem CID172992904
Molecular FormulaC9H6BrClF2
Molecular Weight267.50 g/mol
Exact Mass265.93
IUPAC Name1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene
SMILESFC1(F)CC1c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H6BrClF2/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2
InChIKeyOMEMTOPPVXTWQA-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene?
The IUPAC name of 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene (CID 172992904) is 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene is FC1(F)CC1c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene?
The InChIKey is OMEMTOPPVXTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2.
What are the key properties of 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene?
1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene has a molecular weight of 267.50 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-(2,2-difluorocyclopropyl)benzene is sourced from PubChem (CID 172992904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).