4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene

C17H17BrClF — CID 63430619

IUPAC4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
SMILESCC(C)Cc1ccc(C(Cl)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H17BrClF/c1-11(2)9-12-3-5-13(6-4-12)17(19)15-10-14(18)7-8-16(15)20/h3-8,10-11,17H,9H2,1-2H3
InChIKeyXBWFDPHQGGAXMO-UHFFFAOYSA-N
MW355.68 g/mol
LogP6.11
Rot. Bonds4

About 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene

4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene (PubChem CID 63430619) has the molecular formula C17H17BrClF and a molecular weight of 355.68 g/mol. Its IUPAC name is 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
PubChem CID63430619
Molecular FormulaC17H17BrClF
Molecular Weight355.68 g/mol
Exact Mass354.02
IUPAC Name4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
SMILESCC(C)Cc1ccc(C(Cl)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H17BrClF/c1-11(2)9-12-3-5-13(6-4-12)17(19)15-10-14(18)7-8-16(15)20/h3-8,10-11,17H,9H2,1-2H3
InChIKeyXBWFDPHQGGAXMO-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 56.11
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-[chloro-(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzene
CID 63430622
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430749
1-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430575
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
4-chloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2-methoxybenzene
CID 63430663
4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
4-bromo-1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-2-fluorobenzene
CID 63429439

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene?
The IUPAC name of 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene (CID 63430619) is 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene is CC(C)Cc1ccc(C(Cl)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene?
The InChIKey is XBWFDPHQGGAXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClF/c1-11(2)9-12-3-5-13(6-4-12)17(19)15-10-14(18)7-8-16(15)20/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene?
4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene has a molecular weight of 355.68 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene is sourced from PubChem (CID 63430619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).