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

C12H15Cl2F — CID 103041700

IUPAC2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
SMILESCCC(Cl)CCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15Cl2F/c1-2-10(13)5-3-4-9-6-7-12(15)11(14)8-9/h6-8,10H,2-5H2,1H3
InChIKeyZHSHTNVVSWLULV-UHFFFAOYSA-N
MW249.16 g/mol
LogP4.82
Rot. Bonds5

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

2-chloro-4-(4-chlorohexyl)-1-fluorobenzene (PubChem CID 103041700) has the molecular formula C12H15Cl2F and a molecular weight of 249.16 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
PubChem CID103041700
Molecular FormulaC12H15Cl2F
Molecular Weight249.16 g/mol
Exact Mass248.05
IUPAC Name2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
SMILESCCC(Cl)CCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15Cl2F/c1-2-10(13)5-3-4-9-6-7-12(15)11(14)8-9/h6-8,10H,2-5H2,1H3
InChIKeyZHSHTNVVSWLULV-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 54.82
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-chloro-4-(3-chloropentyl)-1-fluorobenzene
CID 103040835
1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
CID 107888269
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
CID 103041712
4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
CID 103041716
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62538415
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pentan-2-amine
CID 103041364
1-(4-chlorohexyl)-2-fluorobenzene
CID 64507075
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride
CID 98703148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene?
The IUPAC name of 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene (CID 103041700) is 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene is CCC(Cl)CCCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene?
The InChIKey is ZHSHTNVVSWLULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F/c1-2-10(13)5-3-4-9-6-7-12(15)11(14)8-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene?
2-chloro-4-(4-chlorohexyl)-1-fluorobenzene has a molecular weight of 249.16 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorohexyl)-1-fluorobenzene is sourced from PubChem (CID 103041700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).