1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene

C15H13ClF2 — CID 19783287

IUPAC1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene
SMILESFc1ccc(C(CCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13ClF2/c16-10-9-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyIOVUPKRBIBVGIG-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.73
Rot. Bonds4

About 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene

1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene (PubChem CID 19783287) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene
PubChem CID19783287
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene
SMILESFc1ccc(C(CCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13ClF2/c16-10-9-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyIOVUPKRBIBVGIG-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene?
The IUPAC name of 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene (CID 19783287) is 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene.
What is the SMILES notation for 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene?
The canonical SMILES for 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene is Fc1ccc(C(CCCl)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene?
The InChIKey is IOVUPKRBIBVGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c16-10-9-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2.
What are the key properties of 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene?
1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene has a molecular weight of 266.72 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-1-(4-fluorophenyl)propyl]-4-fluorobenzene is sourced from PubChem (CID 19783287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).