1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene

C13H18BrF — CID 66049999

IUPAC1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
SMILESCCCC(C)(CBr)Cc1ccc(F)cc1
InChIInChI=1S/C13H18BrF/c1-3-8-13(2,10-14)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyWNVPAPGEJCPQHO-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.57
Rot. Bonds5

About 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene

1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene (PubChem CID 66049999) has the molecular formula C13H18BrF and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
PubChem CID66049999
Molecular FormulaC13H18BrF
Molecular Weight273.19 g/mol
Exact Mass272.06
IUPAC Name1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
SMILESCCCC(C)(CBr)Cc1ccc(F)cc1
InChIInChI=1S/C13H18BrF/c1-3-8-13(2,10-14)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyWNVPAPGEJCPQHO-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.57
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-ethyl-2-propylpentyl)-4-fluorobenzene
CID 130370949
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
1-[2-(bromomethyl)-2-methylpentyl]-3-chlorobenzene
CID 66047818
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
CID 105411138
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-fluoro-4-propylbenzene
CID 2737505
1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane
CID 160651614
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141224
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene?
The IUPAC name of 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene (CID 66049999) is 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene is CCCC(C)(CBr)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene?
The InChIKey is WNVPAPGEJCPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF/c1-3-8-13(2,10-14)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene?
1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene has a molecular weight of 273.19 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene is sourced from PubChem (CID 66049999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).