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

C14H9Cl4F — CID 91216273

IUPAC1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H9Cl4F/c15-11-5-1-9(2-6-11)13(14(16,17)18)10-3-7-12(19)8-4-10/h1-8,13H
InChIKeySFUGFVDZEYTTKZ-UHFFFAOYSA-N
MW338.04 g/mol
LogP5.98
Rot. Bonds2

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

1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene (PubChem CID 91216273) has the molecular formula C14H9Cl4F and a molecular weight of 338.04 g/mol. Its IUPAC name is 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
PubChem CID91216273
Molecular FormulaC14H9Cl4F
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H9Cl4F/c15-11-5-1-9(2-6-11)13(14(16,17)18)10-3-7-12(19)8-4-10/h1-8,13H
InChIKeySFUGFVDZEYTTKZ-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.04
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron
CID 68791946
hexakis(1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene);hexahydrochloride
CID 173372459
1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CID 3028250
[(4-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192695
(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 129390473
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
chlorobenzene;fluorobenzene
CID 19024180
1-chloro-4-fluorobenzene;isocyanic acid
CID 88592426
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene (CID 91216273) is 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene is Fc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
The InChIKey is SFUGFVDZEYTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4F/c15-11-5-1-9(2-6-11)13(14(16,17)18)10-3-7-12(19)8-4-10/h1-8,13H.
What are the key properties of 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene?
1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene has a molecular weight of 338.04 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 91216273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).