1-bromo-2-chloro-4-(trifluoromethyl)benzene

C7H3BrClF3 — CID 14273266

IUPAC1-bromo-2-chloro-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyRVTIHGGJJMXISV-UHFFFAOYSA-N
MW259.45 g/mol
LogP4.12
Rot. Bonds

About 1-bromo-2-chloro-4-(trifluoromethyl)benzene

1-bromo-2-chloro-4-(trifluoromethyl)benzene (PubChem CID 14273266) has the molecular formula C7H3BrClF3 and a molecular weight of 259.45 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-(trifluoromethyl)benzene
PubChem CID14273266
Molecular FormulaC7H3BrClF3
Molecular Weight259.45 g/mol
Exact Mass257.91
IUPAC Name1-bromo-2-chloro-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyRVTIHGGJJMXISV-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromo-1-chloro-4-(trifluoromethyl)benzene
CID 67988
2-Bromo-5-chlorobenzotrifluoride
CID 136172
4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
CID 67959
4-Bromo-3,5-dichlorobenzotrifluoride
CID 1268256
2-Bromo-1,3-dichloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 12040587
1-Bromo-3-chloro-2-(trifluoromethyl)benzene
CID 20269851
1-Bromo-2-chloro-5-fluoro-4-methylbenzene
CID 2773272
4-Bromo-3-chlorotoluene
CID 138789
2-Bromo-1-chloro-3-methylbenzene
CID 2735553
1-Bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene
CID 2736230
3-Bromo-2-chlorobenzotrifluoride
CID 3283173
1-Bromo-4-(bromomethyl)-2-chlorobenzene
CID 12947392

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-chloro-4-(trifluoromethyl)benzene (CID 14273266) is 1-bromo-2-chloro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-chloro-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-(trifluoromethyl)benzene?
The InChIKey is RVTIHGGJJMXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H.
What are the key properties of 1-bromo-2-chloro-4-(trifluoromethyl)benzene?
1-bromo-2-chloro-4-(trifluoromethyl)benzene has a molecular weight of 259.45 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 14273266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).