2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene

C7H2BrClF4 — CID 131150225

IUPAC2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(Cl)cc(C(F)(F)F)c1Br
InChIInChI=1S/C7H2BrClF4/c8-6-4(7(11,12)13)1-3(9)2-5(6)10/h1-2H
InChIKeyNEGUBJZDAWKLRL-UHFFFAOYSA-N
MW277.44 g/mol
LogP4.26
Rot. Bonds

About 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene

2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene (PubChem CID 131150225) has the molecular formula C7H2BrClF4 and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
PubChem CID131150225
Molecular FormulaC7H2BrClF4
Molecular Weight277.44 g/mol
Exact Mass275.90
IUPAC Name2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(Cl)cc(C(F)(F)F)c1Br
InChIInChI=1S/C7H2BrClF4/c8-6-4(7(11,12)13)1-3(9)2-5(6)10/h1-2H
InChIKeyNEGUBJZDAWKLRL-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922
2-bromo-4-chloro-6-(trifluoromethyl)benzonitrile
CID 154667046
2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone
CID 146675850
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 59636055
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
2-bromo-5-chloro-3-fluorobenzonitrile
CID 131622399
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
4-bromo-3-fluoro-5-(trifluoromethyl)pyridine
CID 118839587
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene (CID 131150225) is 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene is Fc1cc(Cl)cc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is NEGUBJZDAWKLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF4/c8-6-4(7(11,12)13)1-3(9)2-5(6)10/h1-2H.
What are the key properties of 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene?
2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 277.44 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 131150225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).