1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene

C8H4BrClF4 — CID 130758378

IUPAC1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)ccc(Br)c1CCl
InChIInChI=1S/C8H4BrClF4/c9-6-2-1-5(8(12,13)14)7(11)4(6)3-10/h1-2H,3H2
InChIKeyZFIQEQSEQZDCPL-UHFFFAOYSA-N
MW291.47 g/mol
LogP4.35
Rot. Bonds1

About 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene

1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene (PubChem CID 130758378) has the molecular formula C8H4BrClF4 and a molecular weight of 291.47 g/mol. Its IUPAC name is 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
PubChem CID130758378
Molecular FormulaC8H4BrClF4
Molecular Weight291.47 g/mol
Exact Mass289.91
IUPAC Name1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)ccc(Br)c1CCl
InChIInChI=1S/C8H4BrClF4/c9-6-2-1-5(8(12,13)14)7(11)4(6)3-10/h1-2H,3H2
InChIKeyZFIQEQSEQZDCPL-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'}

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Related Compounds

2-bromo-3-(chloromethyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 131533803
2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene
CID 134623922
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
1-(chloromethyl)-3-fluoro-2,4-bis(trifluoromethyl)benzene
CID 134617827
1-bromo-2-(chloromethyl)-5-fluoro-3-(trifluoromethyl)benzene
CID 131533801
4-bromo-3-(chloromethyl)-2-(trifluoromethyl)aniline
CID 131070740
1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene
CID 171005765
2-bromo-1-chloro-3-fluoro-4-(trifluoromethyl)benzene
CID 171032702
2-(bromomethyl)-3-fluoro-4-(trifluoromethyl)aniline
CID 134630714
5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533779
3-[6-bromo-2-fluoro-3-(trifluoromethyl)phenyl]pentan-3-ol
CID 171367511
4-bromo-2-(chloromethyl)-3-(trifluoromethyl)aniline
CID 130776372

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene (CID 130758378) is 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene is Fc1c(C(F)(F)F)ccc(Br)c1CCl.
What is the InChIKey of 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene?
The InChIKey is ZFIQEQSEQZDCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF4/c9-6-2-1-5(8(12,13)14)7(11)4(6)3-10/h1-2H,3H2.
What are the key properties of 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene?
1-bromo-2-(chloromethyl)-3-fluoro-4-(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 1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 130758378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).