1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene

C17H17ClF2 — CID 15087714

IUPAC1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene
SMILESFc1ccc(C(CCCCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17ClF2/c18-12-2-1-3-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17H,1-3,12H2
InChIKeyAIZKHKIKQBOULC-UHFFFAOYSA-N
MW294.77 g/mol
LogP5.51
Rot. Bonds6

About 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene

1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene (PubChem CID 15087714) has the molecular formula C17H17ClF2 and a molecular weight of 294.77 g/mol. Its IUPAC name is 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene
PubChem CID15087714
Molecular FormulaC17H17ClF2
Molecular Weight294.77 g/mol
Exact Mass294.10
IUPAC Name1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene
SMILESFc1ccc(C(CCCCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17ClF2/c18-12-2-1-3-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17H,1-3,12H2
InChIKeyAIZKHKIKQBOULC-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.77
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene?
The IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene (CID 15087714) is 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene.
What is the SMILES notation for 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene?
The canonical SMILES for 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene is Fc1ccc(C(CCCCCl)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene?
The InChIKey is AIZKHKIKQBOULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2/c18-12-2-1-3-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17H,1-3,12H2.
What are the key properties of 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene?
1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene has a molecular weight of 294.77 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(4-fluorophenyl)pentyl]-4-fluorobenzene is sourced from PubChem (CID 15087714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).