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

C15H9ClF6 — CID 134627746

IUPAC2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(CCl)c1
InChIInChI=1S/C15H9ClF6/c16-8-9-7-10(14(17,18)19)5-6-11(9)12-3-1-2-4-13(12)15(20,21)22/h1-7H,8H2
InChIKeyLBIFGPKAIPXOMG-UHFFFAOYSA-N
MW338.68 g/mol
LogP6.13
Rot. Bonds2

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

2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 134627746) has the molecular formula C15H9ClF6 and a molecular weight of 338.68 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
PubChem CID134627746
Molecular FormulaC15H9ClF6
Molecular Weight338.68 g/mol
Exact Mass338.03
IUPAC Name2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(CCl)c1
InChIInChI=1S/C15H9ClF6/c16-8-9-7-10(14(17,18)19)5-6-11(9)12-3-1-2-4-13(12)15(20,21)22/h1-7H,8H2
InChIKeyLBIFGPKAIPXOMG-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 56.13
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

4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
CID 134619859
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46313326
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138
[2-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051
2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 2773227
4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 119019022
2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
CID 141120008

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (CID 134627746) is 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is LBIFGPKAIPXOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF6/c16-8-9-7-10(14(17,18)19)5-6-11(9)12-3-1-2-4-13(12)15(20,21)22/h1-7H,8H2.
What are the key properties of 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 338.68 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134627746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).