4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene

C13H15BrF2 — CID 107182232

IUPAC4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
SMILESCC1CCCC1C(Br)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15BrF2/c1-8-3-2-4-10(8)13(14)9-5-6-11(15)12(16)7-9/h5-8,10,13H,2-4H2,1H3
InChIKeyNGQDYNSUCLKHEE-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.84
Rot. Bonds2

About 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene

4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene (PubChem CID 107182232) has the molecular formula C13H15BrF2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
PubChem CID107182232
Molecular FormulaC13H15BrF2
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
SMILESCC1CCCC1C(Br)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15BrF2/c1-8-3-2-4-10(8)13(14)9-5-6-11(15)12(16)7-9/h5-8,10,13H,2-4H2,1H3
InChIKeyNGQDYNSUCLKHEE-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.84
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-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene
CID 107182321
2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182341
4-[bromo-(2-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746904
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869
1-[bromo-(2-methylcyclopentyl)methyl]-2,5-difluoro-4-methylbenzene
CID 107182501
6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 107182391
2-[bromo-(3,4-difluorophenyl)methyl]thiane 1,1-dioxide
CID 104521488
2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 107182621
[(4-fluoro-3-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107193800
1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene
CID 107182184
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117377

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene?
The IUPAC name of 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene (CID 107182232) is 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene is CC1CCCC1C(Br)c1ccc(F)c(F)c1.
What is the InChIKey of 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene?
The InChIKey is NGQDYNSUCLKHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2/c1-8-3-2-4-10(8)13(14)9-5-6-11(15)12(16)7-9/h5-8,10,13H,2-4H2,1H3.
What are the key properties of 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene?
4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene has a molecular weight of 289.16 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene is sourced from PubChem (CID 107182232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).