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

C13H7Cl2F3O — CID 119008449

IUPAC2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl2F3O/c14-9-3-6-11(12(15)7-9)8-1-4-10(5-2-8)19-13(16,17)18/h1-7H
InChIKeyWNCXLZYSROFWRB-UHFFFAOYSA-N
MW307.10 g/mol
LogP5.56
Rot. Bonds2

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

2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 119008449) has the molecular formula C13H7Cl2F3O and a molecular weight of 307.10 g/mol. Its IUPAC name is 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID119008449
Molecular FormulaC13H7Cl2F3O
Molecular Weight307.10 g/mol
Exact Mass305.98
IUPAC Name2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl2F3O/c14-9-3-6-11(12(15)7-9)8-1-4-10(5-2-8)19-13(16,17)18/h1-7H
InChIKeyWNCXLZYSROFWRB-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.10
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
CID 118844964
5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 118813118
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
CID 134622938
N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
CID 46191486
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583914
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3337530

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene (CID 119008449) is 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is WNCXLZYSROFWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O/c14-9-3-6-11(12(15)7-9)8-1-4-10(5-2-8)19-13(16,17)18/h1-7H.
What are the key properties of 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene?
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 307.10 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 119008449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).