1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene

C13H7Cl2F3 — CID 91233147

IUPAC1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Cl)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C13H7Cl2F3/c14-10-3-1-2-8(6-10)11-7-9(13(16,17)18)4-5-12(11)15/h1-7H
InChIKeyPFVUUILMSRSSCE-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.68
Rot. Bonds1

About 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene

1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene (PubChem CID 91233147) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
PubChem CID91233147
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Cl)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C13H7Cl2F3/c14-10-3-1-2-8(6-10)11-7-9(13(16,17)18)4-5-12(11)15/h1-7H
InChIKeyPFVUUILMSRSSCE-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

1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
CID 162537631
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
CID 45379272
CID 45379272
CID 68547080
CID 68547080
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene (CID 91233147) is 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Cl)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene?
The InChIKey is PFVUUILMSRSSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-10-3-1-2-8(6-10)11-7-9(13(16,17)18)4-5-12(11)15/h1-7H.
What are the key properties of 1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene?
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)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-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91233147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).