2-(4-bromohexyl)-1-chloro-3-fluorobenzene

C12H15BrClF — CID 64507407

IUPAC2-(4-bromohexyl)-1-chloro-3-fluorobenzene
SMILESCCC(Br)CCCc1c(F)cccc1Cl
InChIInChI=1S/C12H15BrClF/c1-2-9(13)5-3-6-10-11(14)7-4-8-12(10)15/h4,7-9H,2-3,5-6H2,1H3
InChIKeyWWCXFCNWGDCJLY-UHFFFAOYSA-N
MW293.61 g/mol
LogP4.98
Rot. Bonds5

About 2-(4-bromohexyl)-1-chloro-3-fluorobenzene

2-(4-bromohexyl)-1-chloro-3-fluorobenzene (PubChem CID 64507407) has the molecular formula C12H15BrClF and a molecular weight of 293.61 g/mol. Its IUPAC name is 2-(4-bromohexyl)-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-(4-bromohexyl)-1-chloro-3-fluorobenzene
PubChem CID64507407
Molecular FormulaC12H15BrClF
Molecular Weight293.61 g/mol
Exact Mass292.00
IUPAC Name2-(4-bromohexyl)-1-chloro-3-fluorobenzene
SMILESCCC(Br)CCCc1c(F)cccc1Cl
InChIInChI=1S/C12H15BrClF/c1-2-9(13)5-3-6-10-11(14)7-4-8-12(10)15/h4,7-9H,2-3,5-6H2,1H3
InChIKeyWWCXFCNWGDCJLY-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

6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216
2-(4-bromoheptyl)-1,3-difluorobenzene
CID 114934494
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
1,3-dichloro-2-(4-chlorohexyl)benzene
CID 64506411
2-(4-bromopentyl)-1,3-dichlorobenzene
CID 64509594
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
6-(2-chloro-6-fluorophenyl)-2-methylhexan-3-one
CID 64504064
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-(3-bromohexyl)-1,3-dichlorobenzene
CID 63471801

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromohexyl)-1-chloro-3-fluorobenzene?
The IUPAC name of 2-(4-bromohexyl)-1-chloro-3-fluorobenzene (CID 64507407) is 2-(4-bromohexyl)-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-(4-bromohexyl)-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-(4-bromohexyl)-1-chloro-3-fluorobenzene is CCC(Br)CCCc1c(F)cccc1Cl.
What is the InChIKey of 2-(4-bromohexyl)-1-chloro-3-fluorobenzene?
The InChIKey is WWCXFCNWGDCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClF/c1-2-9(13)5-3-6-10-11(14)7-4-8-12(10)15/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 2-(4-bromohexyl)-1-chloro-3-fluorobenzene?
2-(4-bromohexyl)-1-chloro-3-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-3-fluorobenzene is sourced from PubChem (CID 64507407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).