2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene

C13H7Cl2F3 — CID 54501466

IUPAC2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl2F3/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16,17)18/h1-7H
InChIKeyGIJHCUFTGBIFIS-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.68
Rot. Bonds1

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

2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 54501466) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
PubChem CID54501466
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl2F3/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16,17)18/h1-7H
InChIKeyGIJHCUFTGBIFIS-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.10
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-chloro-1,3-difluoro-4-[4-(trifluoromethyl)phenyl]benzene
CID 134625909
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
CID 58171465
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
CID 134619859
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
2-chloro-4-(sulfamoylamino)-1-[4-(trifluoromethyl)phenyl]benzene
CID 11428075
2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
CID 171921674
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene (CID 54501466) is 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is GIJHCUFTGBIFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16,17)18/h1-7H.
What are the key properties of 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene?
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 291.10 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 54501466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).