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

C8H4BrClF4 — CID 131533779

IUPAC5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(CCl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H4BrClF4/c9-5-1-4(3-10)7(11)6(2-5)8(12,13)14/h1-2H,3H2
InChIKeyUIUXKAVDNOSWDY-UHFFFAOYSA-N
MW291.47 g/mol
LogP4.35
Rot. Bonds1

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

5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene (PubChem CID 131533779) has the molecular formula C8H4BrClF4 and a molecular weight of 291.47 g/mol. Its IUPAC name is 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
PubChem CID131533779
Molecular FormulaC8H4BrClF4
Molecular Weight291.47 g/mol
Exact Mass289.91
IUPAC Name5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(CCl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H4BrClF4/c9-5-1-4(3-10)7(11)6(2-5)8(12,13)14/h1-2H,3H2
InChIKeyUIUXKAVDNOSWDY-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-bromo-1-(chloromethyl)-2-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

5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533788
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene
CID 171005765
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
1-(chloromethyl)-3-fluoro-2,4-bis(trifluoromethyl)benzene
CID 134617827
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
CID 130758378
5-bromo-1-(diethoxymethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 171366221
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
CID 130877169
5-bromo-1-(bromomethyl)-2-methoxy-3-(trifluoromethyl)benzene
CID 130153862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene (CID 131533779) is 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene is Fc1c(CCl)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is UIUXKAVDNOSWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF4/c9-5-1-4(3-10)7(11)6(2-5)8(12,13)14/h1-2H,3H2.
What are the key properties of 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene?
5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 291.47 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 131533779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).