4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene

C10H7Cl2F — CID 170467363

IUPAC4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene
SMILESFc1ccc(Cl)cc1C#CCCCl
InChIInChI=1S/C10H7Cl2F/c11-6-2-1-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2,6H2
InChIKeyPZBUYZTXSZUODH-UHFFFAOYSA-N
MW217.07 g/mol
LogP3.46
Rot. Bonds1

About 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene

4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene (PubChem CID 170467363) has the molecular formula C10H7Cl2F and a molecular weight of 217.07 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene
PubChem CID170467363
Molecular FormulaC10H7Cl2F
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene
SMILESFc1ccc(Cl)cc1C#CCCCl
InChIInChI=1S/C10H7Cl2F/c11-6-2-1-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2,6H2
InChIKeyPZBUYZTXSZUODH-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(4-chlorobut-1-ynyl)-2-(trifluoromethyl)benzene
CID 170468214
2-(4-chlorobut-1-ynyl)-4,5-difluoroaniline
CID 170467805
1-(4-chlorobut-1-ynyl)-2,5-difluoro-4-nitrobenzene
CID 170468379
4-(4-chlorobut-1-ynyl)-3-fluorobenzaldehyde
CID 170467657
2-(4-chlorobut-1-ynyl)-4-fluoroaniline
CID 170467482
[2-(4-chlorobut-1-ynyl)-5-fluorophenyl]methanamine
CID 170467749
2,5-dichloro-4-(4-chlorobut-1-ynyl)phenol
CID 170467699
4-(4-chlorobut-1-ynyl)-1-fluoro-2-nitrobenzene
CID 170468145
2-(4-chlorobut-1-ynyl)-6-fluorobenzonitrile
CID 170467772
4-bromo-2-(4-bromobut-1-ynyl)-1-fluorobenzene
CID 170467136
4-[[2-(4-chlorobut-1-ynyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82915087
4-(5-bromo-2-fluorophenyl)but-3-yn-1-ol
CID 79742605

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene?
The IUPAC name of 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene (CID 170467363) is 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene.
What is the SMILES notation for 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene?
The canonical SMILES for 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene is Fc1ccc(Cl)cc1C#CCCCl.
What is the InChIKey of 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene?
The InChIKey is PZBUYZTXSZUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F/c11-6-2-1-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2,6H2.
What are the key properties of 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene?
4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene has a molecular weight of 217.07 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorobut-1-ynyl)-1-fluorobenzene is sourced from PubChem (CID 170467363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).