1-chloro-4-[1-(4-fluorophenyl)butyl]benzene

C16H16ClF — CID 143326829

IUPAC1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
SMILESCCCC(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,16H,2-3H2,1H3
InChIKeyPFFJZHSFXNGLCH-UHFFFAOYSA-N
MW262.76 g/mol
LogP5.41
Rot. Bonds4

About 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene

1-chloro-4-[1-(4-fluorophenyl)butyl]benzene (PubChem CID 143326829) has the molecular formula C16H16ClF and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
PubChem CID143326829
Molecular FormulaC16H16ClF
Molecular Weight262.76 g/mol
Exact Mass262.09
IUPAC Name1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
SMILESCCCC(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,16H,2-3H2,1H3
InChIKeyPFFJZHSFXNGLCH-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.76
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene?
The IUPAC name of 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene (CID 143326829) is 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene is CCCC(c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene?
The InChIKey is PFFJZHSFXNGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,16H,2-3H2,1H3.
What are the key properties of 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene?
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene has a molecular weight of 262.76 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-fluorophenyl)butyl]benzene is sourced from PubChem (CID 143326829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).