2-(4-bromohexyl)-1-chloro-4-fluorobenzene

C12H15BrClF — CID 102620535

IUPAC2-(4-bromohexyl)-1-chloro-4-fluorobenzene
SMILESCCC(Br)CCCc1cc(F)ccc1Cl
InChIInChI=1S/C12H15BrClF/c1-2-10(13)5-3-4-9-8-11(15)6-7-12(9)14/h6-8,10H,2-5H2,1H3
InChIKeyRZNYEWRZRGKRAC-UHFFFAOYSA-N
MW293.61 g/mol
LogP4.98
Rot. Bonds5

About 2-(4-bromohexyl)-1-chloro-4-fluorobenzene

2-(4-bromohexyl)-1-chloro-4-fluorobenzene (PubChem CID 102620535) has the molecular formula C12H15BrClF and a molecular weight of 293.61 g/mol. Its IUPAC name is 2-(4-bromohexyl)-1-chloro-4-fluorobenzene.

Molecular Properties

Compound Name2-(4-bromohexyl)-1-chloro-4-fluorobenzene
PubChem CID102620535
Molecular FormulaC12H15BrClF
Molecular Weight293.61 g/mol
Exact Mass292.00
IUPAC Name2-(4-bromohexyl)-1-chloro-4-fluorobenzene
SMILESCCC(Br)CCCc1cc(F)ccc1Cl
InChIInChI=1S/C12H15BrClF/c1-2-10(13)5-3-4-9-8-11(15)6-7-12(9)14/h6-8,10H,2-5H2,1H3
InChIKeyRZNYEWRZRGKRAC-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.61
LogP ≤ 54.98
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-(4-bromo-5,5-dimethylhexyl)-1-chloro-4-fluorobenzene
CID 102620538
1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
CID 105395903
6-(2-chloro-5-fluorophenyl)-2-methylhexan-3-amine
CID 102620442
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
CID 105395959
2-(4-bromohexyl)-1-chloro-3-fluorobenzene
CID 64507407
4-(2-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 102620448
1-(4-bromo-5-methylhexyl)-2-chloro-4-fluorobenzene
CID 64506305
2-chloro-1-(4-chloroheptyl)-4-fluorobenzene
CID 64516631
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 102620239
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
2-(4-bromo-5-methylhexyl)-1,4-difluorobenzene
CID 64509441

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromohexyl)-1-chloro-4-fluorobenzene?
The IUPAC name of 2-(4-bromohexyl)-1-chloro-4-fluorobenzene (CID 102620535) is 2-(4-bromohexyl)-1-chloro-4-fluorobenzene.
What is the SMILES notation for 2-(4-bromohexyl)-1-chloro-4-fluorobenzene?
The canonical SMILES for 2-(4-bromohexyl)-1-chloro-4-fluorobenzene is CCC(Br)CCCc1cc(F)ccc1Cl.
What is the InChIKey of 2-(4-bromohexyl)-1-chloro-4-fluorobenzene?
The InChIKey is RZNYEWRZRGKRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClF/c1-2-10(13)5-3-4-9-8-11(15)6-7-12(9)14/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-(4-bromohexyl)-1-chloro-4-fluorobenzene?
2-(4-bromohexyl)-1-chloro-4-fluorobenzene has a molecular weight of 293.61 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromohexyl)-1-chloro-4-fluorobenzene is sourced from PubChem (CID 102620535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).