2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene

C14H9Cl2F3 — CID 134626202

IUPAC2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2ccc(CCl)c(Cl)c2)c1
InChIInChI=1S/C14H9Cl2F3/c15-8-11-5-4-10(7-13(11)16)9-2-1-3-12(6-9)14(17,18)19/h1-7H,8H2
InChIKeyFEYJAEGTAORGND-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.76
Rot. Bonds2

About 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene

2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134626202) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134626202
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2ccc(CCl)c(Cl)c2)c1
InChIInChI=1S/C14H9Cl2F3/c15-8-11-5-4-10(7-13(11)16)9-2-1-3-12(6-9)14(17,18)19/h1-7H,8H2
InChIKeyFEYJAEGTAORGND-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.13
LogP ≤ 55.76
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-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene (CID 134626202) is 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cccc(-c2ccc(CCl)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is FEYJAEGTAORGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c15-8-11-5-4-10(7-13(11)16)9-2-1-3-12(6-9)14(17,18)19/h1-7H,8H2.
What are the key properties of 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene?
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 305.13 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134626202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).