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

C14H9Cl2F3 — CID 118816855

IUPAC4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(Cl)cc1CCl
InChIInChI=1S/C14H9Cl2F3/c15-8-9-7-10(16)5-6-11(9)12-3-1-2-4-13(12)14(17,18)19/h1-7H,8H2
InChIKeyHATGOQAQAKMKIU-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.76
Rot. Bonds2

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

4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 118816855) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
PubChem CID118816855
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(Cl)cc1CCl
InChIInChI=1S/C14H9Cl2F3/c15-8-9-7-10(16)5-6-11(9)12-3-1-2-4-13(12)14(17,18)19/h1-7H,8H2
InChIKeyHATGOQAQAKMKIU-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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Related Compounds

2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134627746
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
[4-chloro-2-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134629558
4-chloro-2-[2-(trifluoromethyl)phenyl]benzenethiol
CID 151006940
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138
4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 134629680
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
CID 134619859
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (CID 118816855) is 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccccc1-c1ccc(Cl)cc1CCl.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is HATGOQAQAKMKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c15-8-9-7-10(16)5-6-11(9)12-3-1-2-4-13(12)14(17,18)19/h1-7H,8H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
4-chloro-2-(chloromethyl)-1-[2-(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 4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118816855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).