1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene

C15H21Br2F — CID 83169137

IUPAC1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene
SMILESCC(C)CCCC(CBr)(CBr)c1ccc(F)cc1
InChIInChI=1S/C15H21Br2F/c1-12(2)4-3-9-15(10-16,11-17)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyYNVBCRIZPNVISS-UHFFFAOYSA-N
MW380.14 g/mol
LogP5.68
Rot. Bonds7

About 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene

1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene (PubChem CID 83169137) has the molecular formula C15H21Br2F and a molecular weight of 380.14 g/mol. Its IUPAC name is 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene
PubChem CID83169137
Molecular FormulaC15H21Br2F
Molecular Weight380.14 g/mol
Exact Mass378.00
IUPAC Name1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene
SMILESCC(C)CCCC(CBr)(CBr)c1ccc(F)cc1
InChIInChI=1S/C15H21Br2F/c1-12(2)4-3-9-15(10-16,11-17)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyYNVBCRIZPNVISS-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.14
LogP ≤ 55.68
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

2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
CID 106505955
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
1-[1-bromo-2-(bromomethyl)-5,5-dimethylhexan-2-yl]-4-fluorobenzene
CID 79455736
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
CID 83169386
1-[1-bromo-2-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]-4-fluorobenzene
CID 112592556
1-[1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)butan-2-yl]-4-fluorobenzene
CID 79455898
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
1-[1-bromo-2-(bromomethyl)-4-cyclopentylbutan-2-yl]-4-fluorobenzene
CID 114193421
5-[4-bromo-3-(bromomethyl)-3-(4-fluorophenyl)butyl]-1-methylpyrazole
CID 103019072
1-[1-bromo-2-(bromomethyl)heptan-2-yl]-4-methylbenzene
CID 79455568
1-[1-bromo-2-(bromomethyl)undecan-2-yl]-4-methylbenzene
CID 79445897
1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
CID 162726876

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene (CID 83169137) is 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene is CC(C)CCCC(CBr)(CBr)c1ccc(F)cc1.
What is the InChIKey of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene?
The InChIKey is YNVBCRIZPNVISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2F/c1-12(2)4-3-9-15(10-16,11-17)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene?
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene has a molecular weight of 380.14 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene is sourced from PubChem (CID 83169137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).