1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene

C13H7Cl2F3 — CID 118992050

IUPAC1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H7Cl2F3/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16,17)18/h1-7H
InChIKeyYKQLWLPVMGOPDN-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.68
Rot. Bonds1

About 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene

1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 118992050) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID118992050
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H7Cl2F3/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16,17)18/h1-7H
InChIKeyYKQLWLPVMGOPDN-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

1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134626452
1,4-dichloro-2-(3-phenylphenyl)benzene
CID 86205673
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene (CID 118992050) is 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cccc(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is YKQLWLPVMGOPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16,17)18/h1-7H.
What are the key properties of 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene?
1,4-dichloro-2-[3-(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 1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118992050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).