1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene

C13H16BrF — CID 79704912

IUPAC1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene
SMILESCc1cc(F)cc(C2CCC(Br)C2C)c1
InChIInChI=1S/C13H16BrF/c1-8-5-10(7-11(15)6-8)12-3-4-13(14)9(12)2/h5-7,9,12-13H,3-4H2,1-2H3
InChIKeyMYKPAWYUMONMSB-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.41
Rot. Bonds1

About 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene

1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene (PubChem CID 79704912) has the molecular formula C13H16BrF and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene
PubChem CID79704912
Molecular FormulaC13H16BrF
Molecular Weight271.17 g/mol
Exact Mass270.04
IUPAC Name1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene
SMILESCc1cc(F)cc(C2CCC(Br)C2C)c1
InChIInChI=1S/C13H16BrF/c1-8-5-10(7-11(15)6-8)12-3-4-13(14)9(12)2/h5-7,9,12-13H,3-4H2,1-2H3
InChIKeyMYKPAWYUMONMSB-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.41
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-(3-chloro-2-methylcyclopentyl)-3-fluoro-5-methylbenzene
CID 79704770
1-(2-bromocyclohexyl)-3-fluoro-5-methylbenzene
CID 79705445
4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene
CID 64910350
2-(3-bromo-2-methylcyclopentyl)-1-fluoro-4-methylbenzene
CID 64909694
trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 124512088
cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 142068530
4-(3-bromo-2-methylcyclopentyl)-1,2-dichlorobenzene
CID 64909036
N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 81017647
3-(3,5-difluorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64908994
1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene
CID 116545938
2-(3-fluoro-5-methylphenyl)cycloheptan-1-one
CID 79705167
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031516

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene?
The IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene (CID 79704912) is 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene.
What is the SMILES notation for 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene?
The canonical SMILES for 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene is Cc1cc(F)cc(C2CCC(Br)C2C)c1.
What is the InChIKey of 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene?
The InChIKey is MYKPAWYUMONMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF/c1-8-5-10(7-11(15)6-8)12-3-4-13(14)9(12)2/h5-7,9,12-13H,3-4H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene?
1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene has a molecular weight of 271.17 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene is sourced from PubChem (CID 79704912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).