1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene

C12H13BrF2 — CID 107514239

IUPAC1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2CCCC2Br)c(F)c1F
InChIInChI=1S/C12H13BrF2/c1-7-5-6-9(12(15)11(7)14)8-3-2-4-10(8)13/h5-6,8,10H,2-4H2,1H3
InChIKeyYDNDMDTZSDOHCL-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.30
Rot. Bonds1

About 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene

1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene (PubChem CID 107514239) has the molecular formula C12H13BrF2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene
PubChem CID107514239
Molecular FormulaC12H13BrF2
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2CCCC2Br)c(F)c1F
InChIInChI=1S/C12H13BrF2/c1-7-5-6-9(12(15)11(7)14)8-3-2-4-10(8)13/h5-6,8,10H,2-4H2,1H3
InChIKeyYDNDMDTZSDOHCL-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene (CID 107514239) is 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene is Cc1ccc(C2CCCC2Br)c(F)c1F.
What is the InChIKey of 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene?
The InChIKey is YDNDMDTZSDOHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2/c1-7-5-6-9(12(15)11(7)14)8-3-2-4-10(8)13/h5-6,8,10H,2-4H2,1H3.
What are the key properties of 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene?
1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene has a molecular weight of 275.14 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 107514239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).