1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene

C14H9Cl3F2 — CID 3028250

IUPAC1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(C(c2ccccc2F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H9Cl3F2/c15-14(16,17)13(9-5-7-10(18)8-6-9)11-3-1-2-4-12(11)19/h1-8,13H
InChIKeyRKQJIISKWLJIAX-UHFFFAOYSA-N
MW321.58 g/mol
LogP5.47
Rot. Bonds2

About 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene

1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene (PubChem CID 3028250) has the molecular formula C14H9Cl3F2 and a molecular weight of 321.58 g/mol. Its IUPAC name is 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
PubChem CID3028250
Molecular FormulaC14H9Cl3F2
Molecular Weight321.58 g/mol
Exact Mass319.97
IUPAC Name1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(C(c2ccccc2F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H9Cl3F2/c15-14(16,17)13(9-5-7-10(18)8-6-9)11-3-1-2-4-12(11)19/h1-8,13H
InChIKeyRKQJIISKWLJIAX-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.58
LogP ≤ 55.47
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-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
The IUPAC name of 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene (CID 3028250) is 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
The canonical SMILES for 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene is Fc1ccc(C(c2ccccc2F)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
The InChIKey is RKQJIISKWLJIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2/c15-14(16,17)13(9-5-7-10(18)8-6-9)11-3-1-2-4-12(11)19/h1-8,13H.
What are the key properties of 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene has a molecular weight of 321.58 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 3028250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).