1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene

C8H5ClF4 — CID 61083107

IUPAC1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene
SMILESFc1ccc(C(Cl)C(F)(F)F)cc1
InChIInChI=1S/C8H5ClF4/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyAQLDUNZLECVTNU-UHFFFAOYSA-N
MW212.57 g/mol
LogP3.67
Rot. Bonds1

About 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene

1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene (PubChem CID 61083107) has the molecular formula C8H5ClF4 and a molecular weight of 212.57 g/mol. Its IUPAC name is 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene
PubChem CID61083107
Molecular FormulaC8H5ClF4
Molecular Weight212.57 g/mol
Exact Mass212.00
IUPAC Name1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene
SMILESFc1ccc(C(Cl)C(F)(F)F)cc1
InChIInChI=1S/C8H5ClF4/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyAQLDUNZLECVTNU-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.57
LogP ≤ 53.67
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-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene?
The IUPAC name of 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene (CID 61083107) is 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene is Fc1ccc(C(Cl)C(F)(F)F)cc1.
What is the InChIKey of 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene?
The InChIKey is AQLDUNZLECVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H.
What are the key properties of 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene?
1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene has a molecular weight of 212.57 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene is sourced from PubChem (CID 61083107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).