1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene

C14H11ClF2 — CID 14896049

IUPAC1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(CCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11ClF2/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2
InChIKeyAUKNOOORTWFEBQ-UHFFFAOYSA-N
MW252.69 g/mol
LogP4.34
Rot. Bonds3

About 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene

1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene (PubChem CID 14896049) has the molecular formula C14H11ClF2 and a molecular weight of 252.69 g/mol. Its IUPAC name is 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene
PubChem CID14896049
Molecular FormulaC14H11ClF2
Molecular Weight252.69 g/mol
Exact Mass252.05
IUPAC Name1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(CCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11ClF2/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2
InChIKeyAUKNOOORTWFEBQ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 54.34
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-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene (CID 14896049) is 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene is Fc1ccc(C(CCl)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene?
The InChIKey is AUKNOOORTWFEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2.
What are the key properties of 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene?
1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene has a molecular weight of 252.69 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 14896049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).