4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene

C13H15BrF2 — CID 107003154

IUPAC4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
SMILESCC1(C)CC1C(Br)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H15BrF2/c1-13(2)7-9(13)10(14)5-8-3-4-11(15)12(16)6-8/h3-4,6,9-10H,5,7H2,1-2H3
InChIKeyRZQYBXAQCHTEEQ-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.32
Rot. Bonds3

About 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene

4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene (PubChem CID 107003154) has the molecular formula C13H15BrF2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
PubChem CID107003154
Molecular FormulaC13H15BrF2
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
SMILESCC1(C)CC1C(Br)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H15BrF2/c1-13(2)7-9(13)10(14)5-8-3-4-11(15)12(16)6-8/h3-4,6,9-10H,5,7H2,1-2H3
InChIKeyRZQYBXAQCHTEEQ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-4-chlorobenzene
CID 107003135
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-3-chlorobenzene
CID 107003146
N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107001925
2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107005515
4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 106798665
2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052994
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
CID 107183620
4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563630
3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
CID 83155125
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
4-[2-(bromomethyl)-3,3-dimethylbutyl]-1,2-difluorobenzene
CID 83141390
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene?
The IUPAC name of 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene (CID 107003154) is 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene is CC1(C)CC1C(Br)Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene?
The InChIKey is RZQYBXAQCHTEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2/c1-13(2)7-9(13)10(14)5-8-3-4-11(15)12(16)6-8/h3-4,6,9-10H,5,7H2,1-2H3.
What are the key properties of 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene?
4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene has a molecular weight of 289.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene is sourced from PubChem (CID 107003154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).