4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene

C13H7BrClF3 — CID 173139448

IUPAC4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H7BrClF3/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16,17)18/h1-7H
InChIKeyBIPHPFNYTCZXLC-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.79
Rot. Bonds1

About 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene

4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 173139448) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID173139448
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H7BrClF3/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16,17)18/h1-7H
InChIKeyBIPHPFNYTCZXLC-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
CID 162537631
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene (CID 173139448) is 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cccc(-c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is BIPHPFNYTCZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/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 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene?
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 335.55 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 173139448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).