(2,2,2-trichloro-1-phenylethyl)benzene

C14H11Cl3 — CID 18085

IUPAC(2,2,2-trichloro-1-phenylethyl)benzene
SMILESClC(Cl)(Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyZADGQTHIZZOKGE-UHFFFAOYSA-N
MW285.60 g/mol
LogP5.19
Rot. Bonds2

About (2,2,2-trichloro-1-phenylethyl)benzene

(2,2,2-trichloro-1-phenylethyl)benzene (PubChem CID 18085) has the molecular formula C14H11Cl3 and a molecular weight of 285.60 g/mol. Its IUPAC name is (2,2,2-trichloro-1-phenylethyl)benzene.

Molecular Properties

Compound Name(2,2,2-trichloro-1-phenylethyl)benzene
PubChem CID18085
Molecular FormulaC14H11Cl3
Molecular Weight285.60 g/mol
Exact Mass283.99
IUPAC Name(2,2,2-trichloro-1-phenylethyl)benzene
SMILESClC(Cl)(Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyZADGQTHIZZOKGE-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.60
LogP ≤ 55.19
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 (2,2,2-trichloro-1-phenylethyl)benzene?
The IUPAC name of (2,2,2-trichloro-1-phenylethyl)benzene (CID 18085) is (2,2,2-trichloro-1-phenylethyl)benzene.
What is the SMILES notation for (2,2,2-trichloro-1-phenylethyl)benzene?
The canonical SMILES for (2,2,2-trichloro-1-phenylethyl)benzene is ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2,2-trichloro-1-phenylethyl)benzene?
The InChIKey is ZADGQTHIZZOKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of (2,2,2-trichloro-1-phenylethyl)benzene?
(2,2,2-trichloro-1-phenylethyl)benzene has a molecular weight of 285.60 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trichloro-1-phenylethyl)benzene is sourced from PubChem (CID 18085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).