1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene

C16H21Br2F — CID 63471295

IUPAC1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene
SMILESCC(C)C1CCC(Br)C(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C16H21Br2F/c1-10(2)11-3-5-15(17)12(7-11)8-13-9-14(19)4-6-16(13)18/h4,6,9-12,15H,3,5,7-8H2,1-2H3
InChIKeyBGAXHIAPVNRNJU-UHFFFAOYSA-N
MW392.15 g/mol
LogP5.97
Rot. Bonds3

About 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene

1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene (PubChem CID 63471295) has the molecular formula C16H21Br2F and a molecular weight of 392.15 g/mol. Its IUPAC name is 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene
PubChem CID63471295
Molecular FormulaC16H21Br2F
Molecular Weight392.15 g/mol
Exact Mass390.00
IUPAC Name1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene
SMILESCC(C)C1CCC(Br)C(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C16H21Br2F/c1-10(2)11-3-5-15(17)12(7-11)8-13-9-14(19)4-6-16(13)18/h4,6,9-12,15H,3,5,7-8H2,1-2H3
InChIKeyBGAXHIAPVNRNJU-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.15
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,4-difluorobenzene
CID 63472251
2-bromo-1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-nitrobenzene
CID 63472821
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 55191885
2-bromo-1-[(2-bromo-5-propylcyclohexyl)methyl]-4-fluorobenzene
CID 63470892
2-[(2-bromo-5-methylcyclohexyl)methyl]-1-chloro-4-fluorobenzene
CID 102619694
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63460147
2-[(2-bromo-5-tert-butylcyclohexyl)methyl]-1,4-difluorobenzene
CID 63470899
2-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013566
2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-chloro-1-nitrobenzene
CID 79556177

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene (CID 63471295) is 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene is CC(C)C1CCC(Br)C(Cc2cc(F)ccc2Br)C1.
What is the InChIKey of 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene?
The InChIKey is BGAXHIAPVNRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2F/c1-10(2)11-3-5-15(17)12(7-11)8-13-9-14(19)4-6-16(13)18/h4,6,9-12,15H,3,5,7-8H2,1-2H3.
What are the key properties of 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene?
1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene has a molecular weight of 392.15 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63471295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).