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

C10H9BrF2 — CID 126643978

IUPAC2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene
SMILESCc1ccc(C2CC2(F)F)c(Br)c1
InChIInChI=1S/C10H9BrF2/c1-6-2-3-7(9(11)4-6)8-5-10(8,12)13/h2-4,8H,5H2,1H3
InChIKeyQGXIOVAPLJHVOQ-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.88
Rot. Bonds1

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

2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene (PubChem CID 126643978) has the molecular formula C10H9BrF2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene
PubChem CID126643978
Molecular FormulaC10H9BrF2
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene
SMILESCc1ccc(C2CC2(F)F)c(Br)c1
InChIInChI=1S/C10H9BrF2/c1-6-2-3-7(9(11)4-6)8-5-10(8,12)13/h2-4,8H,5H2,1H3
InChIKeyQGXIOVAPLJHVOQ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene
CID 159439039
3-(2-bromo-4-methylphenyl)oxetane
CID 172992066
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
1-(2,2-difluorocyclopropyl)-4-methylbenzene
CID 25210513
2-bromo-1,4-dimethylbenzene;ethane
CID 142028009
4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
CID 138391344
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
2-bromo-1-(4,4-difluorocyclohexyl)oxy-4-methylbenzene
CID 135227009
1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
CID 117007800
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene?
The IUPAC name of 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene (CID 126643978) is 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene?
The canonical SMILES for 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene is Cc1ccc(C2CC2(F)F)c(Br)c1.
What is the InChIKey of 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene?
The InChIKey is QGXIOVAPLJHVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2/c1-6-2-3-7(9(11)4-6)8-5-10(8,12)13/h2-4,8H,5H2,1H3.
What are the key properties of 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene?
2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene has a molecular weight of 247.08 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene is sourced from PubChem (CID 126643978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).