5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene

C9H4BrClF6 — CID 134623558

IUPAC5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CBr)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C9H4BrClF6/c10-3-4-1-5(8(12,13)14)7(11)6(2-4)9(15,16)17/h1-2H,3H2
InChIKeyJPQOYWCQRYGHGQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.27
Rot. Bonds1

About 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene

5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene (PubChem CID 134623558) has the molecular formula C9H4BrClF6 and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
PubChem CID134623558
Molecular FormulaC9H4BrClF6
Molecular Weight341.48 g/mol
Exact Mass339.91
IUPAC Name5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CBr)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C9H4BrClF6/c10-3-4-1-5(8(12,13)14)7(11)6(2-4)9(15,16)17/h1-2H,3H2
InChIKeyJPQOYWCQRYGHGQ-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.27
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

4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
1-bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 146676150
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
4-(bromomethyl)-1-iodo-2-(trifluoromethyl)benzene
CID 98041510
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene
CID 171015138
5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 123704629
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
CID 156612938
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
CID 134638808

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene (CID 134623558) is 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(CBr)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene?
The InChIKey is JPQOYWCQRYGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF6/c10-3-4-1-5(8(12,13)14)7(11)6(2-4)9(15,16)17/h1-2H,3H2.
What are the key properties of 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene?
5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene has a molecular weight of 341.48 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 134623558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).